 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer08_STD_B3LYPDBJ_augccpVDZ.in
 Output=12_L-valine_conformer08_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-143399.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    143400.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer08_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:39:38 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer08_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.412250000000     -0.293817000000     -0.659732000000
  C                                                 1.052491000000     -0.579308000000     -0.023478000000
  C                                                -0.027034000000      0.388733000000     -0.598813000000
  C                                                -1.390463000000     -0.046113000000     -0.106970000000
  O                                                -1.821402000000     -1.161736000000     -0.736457000000
  C                                                 1.133559000000     -0.529563000000      1.500987000000
  N                                                 0.135122000000      1.799703000000     -0.297606000000
  O                                                -2.020824000000      0.489404000000      0.767388000000
  H                                                -0.021936000000      0.253255000000     -1.684416000000
  H                                                 0.747954000000     -1.585935000000     -0.324216000000
  H                                                -2.672285000000     -1.401673000000     -0.337129000000
  H                                                -0.239600000000      2.012406000000      0.618715000000
  H                                                 1.104748000000      2.081912000000     -0.335804000000
  H                                                 1.429701000000      0.463432000000      1.845535000000
  H                                                 0.179505000000     -0.772294000000      1.970784000000
  H                                                 1.877624000000     -1.240196000000      1.864259000000
  H                                                 2.361305000000     -0.338696000000     -1.749450000000
  H                                                 2.788843000000      0.693074000000     -0.378253000000
  H                                                 3.151277000000     -1.024146000000     -0.326187000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:39:38 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528159   0.000000
     3  C    2.533711   1.559964   0.000000
     4  C    3.850653   2.501858   1.513255   0.000000
     5  O    4.322381   3.017751   2.375428   1.351509   0.000000
     6  C    2.521772   1.527429   2.568930   3.031491   3.759999
     7  N    3.114366   2.564450   1.451846   2.402247   3.576408
     8  O    4.722526   3.348564   2.419057   1.203593   2.242227
     9  H    2.697133   2.146222   1.094036   2.109697   2.477681
    10  H    2.133547   1.093839   2.139001   2.644064   2.636566
    11  H    5.213819   3.827351   3.204900   1.879783   0.970069
    12  H    3.739706   2.966293   2.040557   2.467510   3.796547
    13  H    2.731040   2.679994   2.053524   3.287390   4.386813
    14  H    2.795566   2.173201   2.846488   3.467742   4.458422
    15  H    3.483347   2.185504   2.827273   2.703553   3.388871
    16  H    2.748088   2.163601   3.513952   3.998996   4.522463
    17  H    1.091831   2.179419   2.749051   4.105984   4.381619
    18  H    1.093164   2.181683   2.840851   4.252833   4.982267
    19  H    1.091235   2.166660   3.488870   4.651022   4.991472
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.107619   0.000000
     8  O    3.395084   2.738467   0.000000
     9  H    3.477753   2.083125   3.172170   0.000000
    10  H    2.143823   3.440758   3.628328   2.413606   0.000000
    11  H    4.315518   4.258157   2.284848   3.402693   3.425223
    12  H    3.020857   1.012573   2.348275   2.906269   3.848693
    13  H    3.192872   1.010582   3.677270   2.536170   3.685178
    14  H    1.091995   2.838064   3.615135   3.822562   3.061454
    15  H    1.090801   3.429684   2.807399   3.801686   2.500434
    16  H    1.091146   4.117154   4.403696   4.293229   2.486989
    17  H    3.479818   3.411230   5.120867   2.456516   2.487931
    18  H    2.786817   2.876346   4.948421   3.130492   3.059743
    19  H    2.766652   4.131844   5.498852   3.680465   2.468111
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.299713   0.000000
    13  H    5.138224   1.650215   0.000000
    14  H    5.006888   2.586692   2.735564   0.000000
    15  H    3.722269   3.123827   3.784563   1.762299   0.000000
    16  H    5.057060   4.075958   4.058820   1.761628   1.764621
    17  H    5.334941   4.230909   3.071917   3.799370   4.334559
    18  H    5.849237   3.450514   2.183311   2.616340   3.804461
    19  H    5.835796   4.648821   3.719673   3.145328   3.764430
                   16         17         18         19
    16  H    0.000000
    17  H    3.755735   0.000000
    18  H    3.097856   1.768479   0.000000
    19  H    2.543015   1.766232   1.755823   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.83D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9403174           1.4385027           1.3450378
 Leave Link  202 at Thu Aug 12 19:39:39 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.6814012426 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0287194848 Hartrees.
 Nuclear repulsion after empirical dispersion term =      408.6526817579 Hartrees.
 Leave Link  301 at Thu Aug 12 19:39:40 2021, MaxMem=  5368709120 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.20D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:39:41 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:39:41 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer08_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:39:41 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.455718586943    
 DIIS: error= 1.93D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.455718586943     IErMin= 1 ErrMin= 1.93D-03
 ErrMax= 1.93D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-03 BMatP= 5.04D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.93D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.241 Goal=   None    Shift=    0.000
 GapD=    0.241 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.95D-02 MaxDP=1.54D+00              OVMax= 2.27D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.90D-02    CP:  1.17D+00
 E= -402.460495072119     Delta-E=       -0.004776485176 Rises=F Damp=F
 DIIS: error= 3.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.460495072119     IErMin= 2 ErrMin= 3.70D-04
 ErrMax= 3.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.16D-05 BMatP= 5.04D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.70D-03
 Coeff-Com:  0.444D-02 0.996D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.443D-02 0.996D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=7.60D-04 MaxDP=7.22D-02 DE=-4.78D-03 OVMax= 3.24D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.50D-04    CP:  1.17D+00  1.04D+00
 E= -402.460415989562     Delta-E=        0.000079082558 Rises=F Damp=F
 DIIS: error= 5.57D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.460495072119     IErMin= 2 ErrMin= 3.70D-04
 ErrMax= 5.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-04 BMatP= 9.16D-05
 IDIUse=3 WtCom= 2.98D-01 WtEn= 7.02D-01
 Coeff-Com: -0.120D-01 0.616D+00 0.396D+00
 Coeff-En:   0.000D+00 0.658D+00 0.342D+00
 Coeff:     -0.358D-02 0.645D+00 0.358D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=8.41D-05 MaxDP=4.44D-03 DE= 7.91D-05 OVMax= 2.38D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.37D-05    CP:  1.17D+00  1.04D+00  9.38D-01
 E= -402.460571445474     Delta-E=       -0.000155455912 Rises=F Damp=F
 DIIS: error= 5.17D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.460571445474     IErMin= 4 ErrMin= 5.17D-05
 ErrMax= 5.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-06 BMatP= 9.16D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.599D-02 0.257D+00 0.148D+00 0.602D+00
 Coeff:     -0.599D-02 0.257D+00 0.148D+00 0.602D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.49D-05 MaxDP=3.42D-03 DE=-1.55D-04 OVMax= 7.04D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.76D-05    CP:  1.17D+00  1.04D+00  9.63D-01  1.06D+00
 E= -402.460572582366     Delta-E=       -0.000001136892 Rises=F Damp=F
 DIIS: error= 4.26D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.460572582366     IErMin= 5 ErrMin= 4.26D-05
 ErrMax= 4.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-06 BMatP= 2.61D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.149D-02 0.322D-01 0.111D-01 0.427D+00 0.531D+00
 Coeff:     -0.149D-02 0.322D-01 0.111D-01 0.427D+00 0.531D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.34D-05 MaxDP=1.13D-03 DE=-1.14D-06 OVMax= 3.93D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.70D-06    CP:  1.17D+00  1.04D+00  9.81D-01  1.10D+00  8.29D-01
 E= -402.460573638365     Delta-E=       -0.000001055998 Rises=F Damp=F
 DIIS: error= 8.52D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.460573638365     IErMin= 6 ErrMin= 8.52D-06
 ErrMax= 8.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.59D-08 BMatP= 1.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.424D-03 0.244D-03-0.346D-02 0.193D+00 0.288D+00 0.522D+00
 Coeff:     -0.424D-03 0.244D-03-0.346D-02 0.193D+00 0.288D+00 0.522D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.75D-06 MaxDP=9.12D-05 DE=-1.06D-06 OVMax= 6.17D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.30D-06    CP:  1.17D+00  1.04D+00  9.84D-01  1.10D+00  7.75D-01
                    CP:  9.26D-01
 E= -402.460573695053     Delta-E=       -0.000000056688 Rises=F Damp=F
 DIIS: error= 1.50D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.460573695053     IErMin= 7 ErrMin= 1.50D-06
 ErrMax= 1.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-09 BMatP= 6.59D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-04-0.344D-02-0.248D-02 0.380D-01 0.660D-01 0.214D+00
 Coeff-Com:  0.688D+00
 Coeff:     -0.157D-04-0.344D-02-0.248D-02 0.380D-01 0.660D-01 0.214D+00
 Coeff:      0.688D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=8.52D-07 MaxDP=3.66D-05 DE=-5.67D-08 OVMax= 1.49D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.38D-07    CP:  1.17D+00  1.04D+00  9.85D-01  1.10D+00  7.84D-01
                    CP:  9.24D-01  9.06D-01
 E= -402.460573697638     Delta-E=       -0.000000002585 Rises=F Damp=F
 DIIS: error= 3.61D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.460573697638     IErMin= 8 ErrMin= 3.61D-07
 ErrMax= 3.61D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-10 BMatP= 2.75D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-04-0.107D-02-0.582D-03 0.254D-02 0.591D-02 0.396D-01
 Coeff-Com:  0.227D+00 0.727D+00
 Coeff:      0.150D-04-0.107D-02-0.582D-03 0.254D-02 0.591D-02 0.396D-01
 Coeff:      0.227D+00 0.727D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.83D-07 MaxDP=7.60D-06 DE=-2.59D-09 OVMax= 3.78D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.40D-07    CP:  1.17D+00  1.04D+00  9.85D-01  1.10D+00  7.84D-01
                    CP:  9.27D-01  9.30D-01  9.53D-01
 E= -402.460573697748     Delta-E=       -0.000000000110 Rises=F Damp=F
 DIIS: error= 1.84D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.460573697748     IErMin= 9 ErrMin= 1.84D-07
 ErrMax= 1.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-11 BMatP= 1.15D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.917D-05-0.292D-03-0.121D-03-0.119D-02-0.147D-02 0.498D-02
 Coeff-Com:  0.654D-01 0.374D+00 0.559D+00
 Coeff:      0.917D-05-0.292D-03-0.121D-03-0.119D-02-0.147D-02 0.498D-02
 Coeff:      0.654D-01 0.374D+00 0.559D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.74D-08 MaxDP=2.03D-06 DE=-1.10D-10 OVMax= 1.73D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.54D-08    CP:  1.17D+00  1.04D+00  9.85D-01  1.10D+00  7.84D-01
                    CP:  9.28D-01  9.34D-01  9.65D-01  8.07D-01
 E= -402.460573697768     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 4.06D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.460573697768     IErMin=10 ErrMin= 4.06D-08
 ErrMax= 4.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-12 BMatP= 2.58D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.268D-05-0.409D-04-0.119D-06-0.937D-03-0.137D-02-0.126D-02
 Coeff-Com:  0.114D-01 0.115D+00 0.256D+00 0.622D+00
 Coeff:      0.268D-05-0.409D-04-0.119D-06-0.937D-03-0.137D-02-0.126D-02
 Coeff:      0.114D-01 0.115D+00 0.256D+00 0.622D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.76D-08 MaxDP=1.76D-06 DE=-2.00D-11 OVMax= 3.44D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.04D-08    CP:  1.17D+00  1.04D+00  9.85D-01  1.10D+00  7.84D-01
                    CP:  9.29D-01  9.35D-01  9.79D-01  8.11D-01  8.78D-01
 E= -402.460573697758     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 9.20D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -402.460573697768     IErMin=11 ErrMin= 9.20D-09
 ErrMax= 9.20D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-13 BMatP= 1.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.511D-06 0.200D-05 0.805D-05-0.277D-03-0.369D-03-0.679D-03
 Coeff-Com:  0.231D-03 0.189D-01 0.656D-01 0.275D+00 0.642D+00
 Coeff:      0.511D-06 0.200D-05 0.805D-05-0.277D-03-0.369D-03-0.679D-03
 Coeff:      0.231D-03 0.189D-01 0.656D-01 0.275D+00 0.642D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.60D-09 MaxDP=4.59D-07 DE= 1.01D-11 OVMax= 1.11D-07

 SCF Done:  E(RB3LYP) =  -402.460573698     A.U. after   11 cycles
            NFock= 11  Conv=0.46D-08     -V/T= 2.0061
 KE= 4.000117355569D+02 PE=-1.756534541628D+03 EE= 5.454095506155D+02
 Leave Link  502 at Thu Aug 12 19:40:51 2021, MaxMem=  5368709120 cpu:             552.3 elap:              69.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.77305652D+02

 Leave Link  801 at Thu Aug 12 19:40:51 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.53D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.99D-01 5.40D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 3.99D-02 3.49D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.80D-03 1.18D-02.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 9.94D-05 1.79D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.32D-06 2.20D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 6.77D-08 2.88D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 7.48D-10 3.40D-06.
      8 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 6.43D-12 3.83D-07.
      4 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 3.85D-14 3.10D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.904416D+02
      2  0.368679D+00  0.791098D+02
      3 -0.253512D+01  0.201741D+01  0.766845D+02
 Isotropic polarizability for W=    0.088559       82.08 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.736212D+02 -0.269772D+02  0.170904D+01
      2  -0.420058D+02  0.270818D+02 -0.922918D+01
      3  -0.316154D+02 -0.104583D+00  0.752014D+01
      4  -0.290211D+02  0.449386D+02 -0.186299D+02
      5   0.927290D+01 -0.214754D+02  0.634126D+02
      6  -0.474252D+01  0.329296D+00 -0.711015D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.278177D+01  0.103353D+01 -0.121316D+01
      2   0.676680D+01 -0.719695D+01  0.313675D+02
      3   0.849046D+01 -0.258512D+02  0.871055D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.284552D+01  0.955847D+01  0.700557D+01
      2  -0.756386D+01 -0.138873D+02  0.950281D+02
      3  -0.204392D+01 -0.869445D+02  0.167329D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.454179D-01 -0.170075D+01 -0.119912D+01
      2  -0.170075D+01 -0.507445D+00 -0.368640D+00
      3  -0.119912D+01 -0.368640D+00 -0.806149D+00
 OR G Eigenvalues:    -2.6135    -0.3536     1.6990  Iso=     0.4227
 Eigenvectors:
   (1)   0.613704   0.587849   0.527068
   (2)  -0.119550  -0.590681   0.798000
   (3)   0.780433  -0.552746  -0.292227
 w=    0.088559 a.u., Optical Rotation Beta=      0.4227 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      182.98 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.50D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.02D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.59D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.91D-02 3.46D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 7.67D-04 3.96D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.68D-05 4.02D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.05D-07 3.97D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 8.54D-10 2.29D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.73D-12 1.02D-07.
      1 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 2.87D-15 4.96D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 9.21D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 9.21D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.54D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.904416D+02  0.368679D+00 -0.253512D+01
      2   0.368679D+00  0.791098D+02  0.201741D+01
      3  -0.253512D+01  0.201741D+01  0.766845D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.278177D+01  0.103353D+01 -0.121316D+01
      2   0.676680D+01 -0.719695D+01  0.313675D+02
      3   0.849046D+01 -0.258512D+02  0.871055D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.736212D+02 -0.269772D+02  0.170904D+01
      2  -0.420058D+02  0.270818D+02 -0.922918D+01
      3  -0.316154D+02 -0.104583D+00  0.752014D+01
      4  -0.290211D+02  0.449386D+02 -0.186299D+02
      5   0.927290D+01 -0.214754D+02  0.634126D+02
      6  -0.474252D+01  0.329296D+00 -0.711015D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.148099D+00  0.241523D+01 -0.355857D+01  0.435403D+01 -0.468117D+01
      2   0.241523D+01 -0.397022D+01  0.118397D+00 -0.468117D+01 -0.252606D+01
      3  -0.355857D+01  0.118397D+00  0.126459D+01 -0.825934D-01 -0.201467D+01
                 6             7             8             9            10 
      1  -0.825934D-01 -0.523180D+01  0.544386D+00 -0.247366D+00  0.218011D+01
      2  -0.201467D+01  0.544386D+00 -0.247844D+01  0.336260D+00 -0.279242D+01
      3   0.471512D+00 -0.247366D+00  0.336260D+00  0.755919D+01  0.445637D+01
                11            12            13            14            15 
      1  -0.279242D+01  0.445637D+01 -0.709416D+01  0.442711D+01  0.277925D+00
      2   0.423654D+01  0.395681D+00  0.442711D+01  0.464840D+01  0.301053D+01
      3   0.395681D+00 -0.330415D+00  0.277925D+00  0.301053D+01  0.382093D-01
                16            17            18            19            20 
      1   0.747841D+01 -0.246996D+00  0.293803D-01 -0.447007D+01  0.469854D+01
      2  -0.246996D+00  0.349472D+01  0.353637D+00  0.469854D+01 -0.238647D+01
      3   0.293803D-01  0.353637D+00 -0.549740D+01 -0.121488D+01  0.646340D+00
                21            22            23            24            25 
      1  -0.121488D+01  0.801559D+01 -0.108776D+01 -0.405548D+00 -0.380177D+01
      2   0.646340D+00 -0.108776D+01 -0.391753D+00 -0.268230D-01  0.649295D+00
      3  -0.574759D+00 -0.405548D+00 -0.268230D-01  0.220707D+01 -0.667838D+00
                26            27            28            29            30 
      1   0.649295D+00 -0.667838D+00  0.782879D+00 -0.299902D+01 -0.986079D+00
      2  -0.283258D+01  0.243966D+01 -0.299902D+01 -0.501233D-01  0.185028D+01
      3   0.243966D+01  0.683735D+01 -0.986079D+00  0.185028D+01  0.316340D+00
                31            32            33            34            35 
      1  -0.476493D+01 -0.596587D+00  0.225561D+01 -0.519626D+01  0.167363D+01
      2  -0.596587D+00 -0.775425D+00  0.806493D+00  0.167363D+01 -0.312146D+00
      3   0.225561D+01  0.806493D+00 -0.148324D+01  0.201162D+01 -0.895638D+00
                36            37            38            39            40 
      1   0.201162D+01  0.553638D+01  0.221404D+01 -0.174805D+01  0.782562D+00
      2  -0.895638D+00  0.221404D+01  0.233816D+01 -0.860306D+00  0.453749D+00
      3  -0.308295D+01 -0.174805D+01 -0.860306D+00  0.375497D+00 -0.109180D+01
                41            42            43            44            45 
      1   0.453749D+00 -0.109180D+01 -0.374496D+01 -0.197765D+01 -0.122103D+01
      2  -0.282684D+01 -0.180460D+01 -0.197765D+01 -0.225246D+01 -0.160580D+01
      3  -0.180460D+01 -0.654603D+00 -0.122103D+01 -0.160580D+01 -0.275061D+01
                46            47            48            49            50 
      1   0.124918D+01  0.322684D+01 -0.478410D+01  0.335345D+01 -0.344027D+01
      2   0.322684D+01 -0.319938D+01  0.151419D+00 -0.344027D+01 -0.247460D+01
      3  -0.478410D+01  0.151419D+00  0.926435D+00  0.387979D-01 -0.336924D+01
                51            52            53            54            55 
      1   0.387979D-01 -0.370450D+01 -0.754676D-01  0.385385D+00 -0.371424D+01
      2  -0.336924D+01 -0.754676D-01 -0.252311D+01 -0.158941D+00 -0.844129D+00
      3   0.332066D+00  0.385385D+00 -0.158941D+00  0.366095D+01 -0.693339D-02
                56            57            58            59            60 
      1  -0.844129D+00 -0.693339D-02 -0.244675D+01 -0.682544D+00  0.100573D+00
      2   0.391159D+00 -0.316501D+00 -0.682544D+00  0.387666D+01 -0.191655D+01
      3  -0.316501D+00  0.162762D+01  0.100573D+00 -0.191655D+01 -0.183633D+01
                61            62            63            64            65 
      1  -0.179245D-01 -0.952553D+00  0.799315D+00 -0.628802D+01  0.255018D+01
      2  -0.952553D+00 -0.231882D+00 -0.608864D+00  0.255018D+01 -0.163441D+01
      3   0.799315D+00 -0.608864D+00 -0.373623D+01  0.294898D+01 -0.146453D+01
                66            67            68            69            70 
      1   0.294898D+01  0.486800D+01 -0.194495D+01 -0.134707D+01  0.675400D+01
      2  -0.146453D+01 -0.194495D+01  0.403496D+01  0.173809D+01 -0.928713D+00
      3  -0.184655D+01 -0.134707D+01  0.173809D+01  0.183083D+01 -0.320614D+01
                71            72            73            74            75 
      1  -0.928713D+00 -0.320614D+01  0.696139D+00 -0.789421D+00 -0.108336D+01
      2   0.246369D+01  0.208355D+01 -0.789421D+00  0.507255D+00  0.314876D-02
      3   0.208355D+01  0.622772D+01 -0.108336D+01  0.314876D-02  0.354005D+00
                76            77            78            79            80 
      1  -0.127247D+01  0.222204D+00  0.108661D+00 -0.125697D+01 -0.880025D-01
      2   0.222204D+00 -0.132746D+00 -0.132065D+01 -0.880025D-01 -0.169105D+01
      3   0.108661D+00 -0.132065D+01 -0.795612D+00  0.275531D+00 -0.975969D+00
                81            82            83            84            85 
      1   0.275531D+00 -0.132967D+01 -0.100974D+01 -0.103857D+01 -0.101654D+01
      2  -0.975969D+00 -0.100974D+01 -0.173971D+01 -0.167400D+00 -0.127802D+01
      3  -0.922955D+01 -0.103857D+01 -0.167400D+00 -0.490996D+00 -0.795320D-01
                86            87            88            89            90 
      1  -0.127802D+01 -0.795320D-01 -0.139316D+01 -0.139364D+00 -0.150370D+00
      2  -0.831619D+01 -0.166432D+01 -0.139364D+00 -0.198319D+01 -0.166462D+01
      3  -0.166432D+01 -0.163036D+01 -0.150370D+00 -0.166462D+01 -0.566679D+00
                91            92            93            94            95 
      1  -0.830727D+01 -0.412530D+01  0.169128D+00 -0.246885D+01 -0.214804D+01
      2  -0.412530D+01 -0.324723D+01 -0.551023D-01 -0.214804D+01 -0.259284D+01
      3   0.169128D+00 -0.551023D-01 -0.116420D+01  0.158199D+00 -0.384828D-01
                96            97            98            99           100 
      1   0.158199D+00  0.278229D+01  0.159656D+01 -0.108384D+01 -0.131730D+01
      2  -0.384828D-01  0.159656D+01  0.126031D+01 -0.643375D+00  0.140249D+00
      3  -0.633799D+00 -0.108384D+01 -0.643375D+00  0.317261D+00  0.551279D+00
               101           102           103           104           105 
      1   0.140249D+00  0.551279D+00  0.472344D+00 -0.340700D+00 -0.848738D-01
      2  -0.175877D+01 -0.313241D+00 -0.340700D+00  0.186027D+01  0.931312D+00
      3  -0.313241D+00 -0.203541D+01 -0.848738D-01  0.931312D+00  0.209483D+01
               106           107           108           109           110 
      1   0.166960D+01  0.180608D-01 -0.950158D+00  0.606112D+01  0.233697D+01
      2   0.180608D-01  0.238126D+01  0.195232D+01  0.233697D+01  0.274325D+01
      3  -0.950158D+00  0.195232D+01  0.413939D+01 -0.375879D+00  0.210724D+00
               111           112           113           114           115 
      1  -0.375879D+00  0.252577D+01  0.119699D+01  0.416860D+00 -0.105022D+01
      2   0.210724D+00  0.119699D+01  0.218143D+01 -0.301199D-01  0.341397D+00
      3   0.704702D+00  0.416860D+00 -0.301199D-01  0.813172D+00  0.266998D+00
               116           117           118           119           120 
      1   0.341397D+00  0.266998D+00  0.979528D+00  0.670455D+00  0.116010D+01
      2  -0.734846D+00  0.575768D+00  0.670455D+00  0.146513D+01  0.534489D+00
      3   0.575768D+00 -0.436943D+00  0.116010D+01  0.534489D+00  0.841313D+00
               121           122           123           124           125 
      1   0.127955D+01  0.126312D+01  0.960655D+00  0.818368D+00  0.387746D+00
      2   0.126312D+01  0.498246D+01  0.191306D+01  0.387746D+00  0.175237D+01
      3   0.960655D+00  0.191306D+01  0.305057D+01  0.473214D+00  0.141644D+01
               126           127           128           129           130 
      1   0.473214D+00 -0.503299D+01 -0.124329D+01  0.249198D+01 -0.127106D+01
      2   0.141644D+01 -0.124329D+01 -0.102666D+01  0.931247D+00 -0.554951D+00
      3   0.172494D+01  0.249198D+01  0.931247D+00 -0.342616D+01  0.532832D+00
               131           132           133           134           135 
      1  -0.554951D+00  0.532832D+00  0.199908D+01  0.521180D+00 -0.187477D+01
      2  -0.753782D+00  0.123684D+01  0.521180D+00  0.929554D+00 -0.727804D+00
      3   0.123684D+01 -0.105181D+01 -0.187477D+01 -0.727804D+00  0.269581D+01
               136           137           138           139           140 
      1   0.397213D+01 -0.259290D+01  0.261873D+01 -0.286566D+01  0.256543D+01
      2  -0.259290D+01  0.246993D+01 -0.143979D+01  0.256543D+01 -0.320132D+01
      3   0.261873D+01 -0.143979D+01  0.237549D+01 -0.151284D+01  0.234212D+01
               141           142           143           144           145 
      1  -0.151284D+01  0.142892D+01 -0.943408D+00  0.156320D+01  0.141996D+00
      2   0.234212D+01 -0.943408D+00  0.145307D+01 -0.151505D+01 -0.185678D+00
      3  -0.241526D+01  0.156320D+01 -0.151505D+01  0.192402D+01 -0.674323D+00
               146           147           148           149           150 
      1  -0.185678D+00 -0.674323D+00 -0.518589D+00  0.766595D+00  0.623992D-01
      2   0.208233D+00 -0.493272D-02  0.766595D+00 -0.437077D-01 -0.941301D+00
      3  -0.493272D-02 -0.166039D+00  0.623992D-01 -0.941301D+00 -0.425329D+00
               151           152           153           154           155 
      1  -0.192966D+01  0.141506D+00  0.198225D+01  0.227679D+01  0.149367D+01
      2   0.141506D+00 -0.108894D+01 -0.325798D+00  0.149367D+01  0.212382D+01
      3   0.198225D+01 -0.325798D+00 -0.981786D+01  0.395191D+00  0.100919D+00
               156           157           158           159           160 
      1   0.395191D+00  0.322287D+01  0.236857D+01 -0.155984D+00  0.154461D+01
      2   0.100919D+00  0.236857D+01  0.546160D+01  0.575370D+00  0.342477D+00
      3   0.427250D+00 -0.155984D+00  0.575370D+00  0.123220D+01  0.568105D+00
               161           162           163           164           165 
      1   0.342477D+00  0.568105D+00  0.643522D+01 -0.316429D+01  0.678993D+00
      2   0.128410D+01  0.792101D+00 -0.316429D+01  0.252949D+01 -0.320837D+00
      3   0.792101D+00 -0.567330D-01  0.678993D+00 -0.320837D+00  0.821275D+00
               166           167           168           169           170 
      1  -0.515515D+01  0.349122D+01 -0.152264D+00  0.285195D+01 -0.864079D+00
      2   0.349122D+01 -0.301053D+01  0.572945D+00 -0.864079D+00  0.110958D+01
      3  -0.152264D+00  0.572945D+00 -0.114411D+01  0.104653D+01 -0.827870D+00
               171 
      1   0.104653D+01
      2  -0.827870D+00
      3   0.883170D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.358685D+01  0.366562D+01  0.431888D+00  0.482755D+01  0.144952D+01
      2  -0.893660D+01  0.226736D+01  0.111702D+01  0.371968D+01 -0.951863D+01
      3  -0.675741D+01  0.898914D+01  0.128441D+01  0.174944D+02  0.109339D+02
                 6             7             8             9            10 
      1  -0.517023D+00  0.667129D+00  0.321079D+01  0.141741D+01  0.370155D+01
      2   0.768680D+00 -0.943294D+01  0.128110D+01  0.223774D+02  0.858831D+01
      3   0.432027D+01 -0.158053D+01  0.675455D+01 -0.101163D+01  0.376152D-01
                11            12            13            14            15 
      1  -0.112592D+01  0.131007D+00 -0.922194D+00  0.454424D+01 -0.503419D+01
      2  -0.132110D+01  0.419909D+01 -0.470171D+01  0.462441D+01 -0.249210D+00
      3  -0.349600D+01 -0.192148D+01  0.134948D+01 -0.134442D+02 -0.326432D+01
                16            17            18            19            20 
      1  -0.562243D+00  0.163795D+01 -0.288602D+01 -0.254526D+01 -0.782900D+00
      2  -0.212358D+01  0.103453D+01 -0.564041D+01 -0.233179D+01  0.216385D+01
      3  -0.849233D+00 -0.243909D+01 -0.891225D+00  0.906964D+01 -0.557981D+01
                21            22            23            24            25 
      1  -0.162412D+01  0.283485D+01 -0.105589D+01  0.361209D+01 -0.315445D+01
      2   0.184868D+01  0.674786D+01 -0.158434D+01  0.245139D+01 -0.795310D+01
      3   0.587027D+00  0.515895D+00  0.218479D+01 -0.141994D+01 -0.233638D+01
                26            27            28            29            30 
      1   0.468979D+01 -0.263611D+01  0.130475D+01  0.403528D+01  0.248909D+01
      2   0.955521D+00 -0.160540D+01 -0.600901D+01 -0.222164D+01 -0.540435D+01
      3   0.178299D+01  0.546772D+00 -0.105196D+02  0.297092D+01 -0.136125D+01
                31            32            33            34            35 
      1  -0.187816D-01 -0.885569D+01 -0.685924D+00  0.154997D+00  0.163510D+01
      2   0.263573D+01  0.153088D+01  0.485284D+00 -0.109269D+02  0.525786D+00
      3   0.263073D+01  0.433224D+01 -0.149793D+01 -0.612636D+01 -0.730208D+01
                36            37            38            39            40 
      1   0.728767D+01 -0.311145D+01 -0.738724D+00 -0.466789D+00 -0.131808D+00
      2   0.934165D+01  0.588525D+01  0.303344D+01  0.809649D+00 -0.265038D+01
      3  -0.222304D+01 -0.385604D-01 -0.275673D+00  0.779122D+00  0.668403D+01
                41            42            43            44            45 
      1   0.271703D+01 -0.441234D+01  0.306310D+01  0.386902D+01 -0.320488D+01
      2   0.257747D+01  0.196876D+01 -0.508610D+01  0.115186D+01  0.593843D+01
      3  -0.725242D+01 -0.234125D+01  0.249589D+01 -0.241918D+01 -0.292577D+01
                46            47            48            49            50 
      1   0.287742D+01 -0.592348D+01  0.447299D+00 -0.627032D+01 -0.801136D+01
      2  -0.109763D+02 -0.640975D+01  0.139864D+02 -0.452169D+01  0.168610D+01
      3  -0.545037D+01  0.251893D+00  0.220432D+01  0.465830D+01  0.615280D+01
                51            52            53            54            55 
      1  -0.990444D+01 -0.358472D+00 -0.365854D+01  0.305625D+01  0.125281D+01
      2  -0.237321D+00  0.631284D+01  0.283414D+00  0.268495D+01 -0.224869D+01
      3   0.408895D+01  0.212591D+01  0.323803D+01  0.244348D+00 -0.148292D+02
                56            57            58            59            60 
      1   0.332339D+01 -0.343525D+01  0.804690D+00 -0.199097D+01 -0.339759D+01
      2   0.241365D+00  0.232705D+01 -0.139174D+01 -0.426341D+00 -0.165315D+01
      3  -0.806902D+01 -0.519180D+00  0.594545D+01 -0.373209D+00  0.500345D+00
                61            62            63            64            65 
      1  -0.227717D+01  0.773003D+01  0.110071D+02 -0.403893D+00 -0.324940D+01
      2  -0.149388D+01 -0.144022D+00  0.122813D+01 -0.185442D+01  0.277245D+01
      3  -0.233585D+01 -0.275535D+01  0.380808D+01  0.279969D+01 -0.866822D+01
                66            67            68            69            70 
      1   0.867016D+00  0.817583D+00  0.292365D+01 -0.327159D+01  0.118460D-01
      2   0.971399D+01  0.156125D+01 -0.473252D+01 -0.347009D+01  0.197222D+01
      3  -0.106299D+01  0.133319D+01  0.614594D+01  0.347959D+01  0.382601D+01
                71            72            73            74            75 
      1   0.531356D+01 -0.248132D+01  0.271490D+00 -0.481078D+00  0.269945D+00
      2  -0.372365D+01 -0.142146D+02  0.776268D+00 -0.602634D+00  0.249885D-01
      3   0.753563D+01  0.357932D+01 -0.365381D+00 -0.116745D+00 -0.395894D+00
                76            77            78            79            80 
      1  -0.834382D+00  0.694975D+00 -0.356010D+00  0.518677D+00  0.376006D+01
      2  -0.107684D+01  0.158635D+00 -0.396294D+00 -0.457575D+01 -0.118489D+00
      3   0.174410D+01 -0.240309D+00 -0.145872D+00  0.669352D+00 -0.142948D+00
                81            82            83            84            85 
      1   0.147368D+01 -0.128840D+01  0.116361D+00 -0.630655D+00 -0.399205D+00
      2   0.452284D+00 -0.177704D+01 -0.308913D+00  0.116082D+00 -0.469220D+00
      3   0.506856D-01  0.366392D+01  0.156844D+01  0.114025D+01  0.599985D+01
                86            87            88            89            90 
      1   0.572867D+00 -0.420741D+01 -0.240032D-01  0.509160D+00 -0.348606D+00
      2  -0.159416D+01 -0.138705D+01 -0.209264D+01 -0.171230D+01 -0.467851D+00
      3   0.918296D+01  0.210390D+01  0.218106D+01  0.191842D+01  0.182996D+01
                91            92            93            94            95 
      1   0.343610D+01  0.197349D+01 -0.198407D+01  0.212803D+01  0.195643D+01
      2  -0.547047D+01 -0.282232D+01  0.399284D+01 -0.270455D+01 -0.196576D+01
      3   0.126624D+01 -0.424700D+01 -0.768165D+00  0.232037D-01 -0.244019D+01
                96            97            98            99           100 
      1  -0.951796D+00 -0.178692D+01 -0.680043D+00  0.129693D+01 -0.169330D+01
      2   0.163315D+01  0.306780D+01  0.179771D+01 -0.240949D+01  0.527373D+00
      3   0.311393D-01  0.388904D+00  0.219375D+01 -0.295117D+00 -0.285269D+01
               101           102           103           104           105 
      1  -0.383751D+00  0.512760D+01 -0.359748D+00 -0.190516D+01 -0.555754D+01
      2   0.623781D+00  0.348894D-01  0.464856D+00  0.876835D-01 -0.189004D-01
      3  -0.107319D+01  0.148991D+01  0.395512D+00 -0.776281D+00 -0.552640D-01
               106           107           108           109           110 
      1   0.286072D+01 -0.320255D+01 -0.127799D+02 -0.834624D+00 -0.179815D+01
      2  -0.268890D+01  0.263178D-01 -0.137167D+01  0.275867D+01  0.471774D+00
      3   0.538775D+01 -0.128905D+00 -0.323105D+01  0.182224D+02  0.141972D+01
               111           112           113           114           115 
      1  -0.267423D+01 -0.166125D+01 -0.871809D+00 -0.160916D+01 -0.486762D+00
      2   0.214626D+01  0.804683D+00  0.483346D+00  0.131025D+01 -0.105167D+01
      3  -0.302188D+00  0.497050D+01  0.193702D+01  0.119330D+01 -0.196291D+01
               116           117           118           119           120 
      1   0.249995D+00 -0.480203D+00  0.203829D+01  0.314577D+01  0.123975D+01
      2   0.470556D+00  0.341812D-01  0.339116D+00 -0.540476D+00  0.514749D+00
      3   0.966896D+00  0.107363D+00 -0.601906D+00 -0.302987D+01 -0.105591D+01
               121           122           123           124           125 
      1   0.247898D+01  0.137905D+02  0.266454D+01  0.149069D+01  0.529763D+01
      2  -0.236633D+01  0.202893D+00  0.327534D+01 -0.222910D+01  0.870405D+00
      3   0.127394D+00 -0.839962D+01 -0.227947D+01 -0.609311D+00 -0.199257D+01
               126           127           128           129           130 
      1   0.333829D+01 -0.201856D+00 -0.242067D+01 -0.130921D+01 -0.896386D+00
      2   0.121559D+01  0.161782D+02  0.329589D+01 -0.618251D+01  0.290268D+01
      3  -0.225882D+01  0.560422D+01  0.150640D+00 -0.207869D+01  0.235018D+01
               131           132           133           134           135 
      1   0.626037D-02  0.373550D+00 -0.358008D+00  0.256484D+01  0.524963D+00
      2   0.227648D+01 -0.178356D+01 -0.837374D+01 -0.194464D+01  0.555376D+01
      3   0.697728D+00 -0.158479D+01 -0.195536D+01 -0.466576D+00  0.199486D+01
               136           137           138           139           140 
      1  -0.267350D+01  0.469096D+01  0.431062D+00  0.358311D+01 -0.468857D+01
      2  -0.405469D+01  0.258124D+01  0.118180D+01  0.399063D+01 -0.135690D+01
      3  -0.200203D+00 -0.328597D+01  0.303873D+00  0.262541D+00  0.333042D+01
               141           142           143           144           145 
      1   0.563277D+00 -0.623200D+00  0.287732D+01 -0.572317D+00 -0.197380D+00
      2  -0.148143D+01 -0.279696D+01  0.132565D+00  0.354599D+00 -0.237994D+01
      3  -0.214583D+01 -0.538278D+00 -0.192001D+01  0.790994D+00  0.712027D+00
               146           147           148           149           150 
      1  -0.141886D+00 -0.394272D-01 -0.567888D+00 -0.347026D+00 -0.196349D+00
      2  -0.104863D+00  0.276838D+00 -0.287232D+00 -0.124175D+01 -0.983229D+00
      3  -0.129470D+01  0.319163D+00 -0.989465D+00 -0.661320D+00  0.200949D+01
               151           152           153           154           155 
      1   0.528945D+00  0.391079D+01 -0.289276D+01 -0.112961D+01 -0.186289D+01
      2  -0.468132D+00 -0.707972D+00 -0.244419D+02  0.282001D+01  0.170109D+01
      3   0.528665D+00  0.310644D+01  0.332816D+00 -0.479767D+01 -0.702718D+01
               156           157           158           159           160 
      1  -0.879929D+00 -0.191590D+01 -0.410541D+01 -0.255318D+01 -0.341474D+00
      2   0.243116D+01  0.155599D+01  0.432240D+01  0.450943D+01  0.110186D+01
      3  -0.485213D+00 -0.423447D+01 -0.191573D+02 -0.234154D+01 -0.448420D+00
               161           162           163           164           165 
      1   0.278468D+00 -0.105341D+01  0.278370D+01 -0.204202D+01  0.160902D+01
      2   0.234395D+01  0.648929D+00  0.689708D+01 -0.381285D+01  0.520772D+01
      3  -0.436039D+01 -0.215398D+01  0.485214D+01 -0.874189D+01  0.834478D+00
               166           167           168           169           170 
      1  -0.222833D+01  0.216869D+01 -0.290126D+01  0.861681D+00 -0.438868D+00
      2  -0.421368D+01  0.447011D+01 -0.474206D+01  0.361739D+01 -0.270849D+01
      3  -0.603953D+01  0.803291D+01 -0.191910D+01  0.113908D+01 -0.356960D+01
               171 
      1   0.941622D+00
      2   0.158977D+01
      3   0.170543D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.578000D-01  0.133440D+02 -0.185677D+02  0.144328D+02 -0.285437D+02
      2  -0.669187D+01 -0.475812D+01  0.849372D+01 -0.455802D+01  0.874613D+01
      3   0.663407D+01 -0.858592D+01  0.100740D+02 -0.987478D+01  0.197976D+02
      4   0.174863D+02 -0.243800D+02  0.303876D+01 -0.350851D+02 -0.108920D+02
      5  -0.199215D+02 -0.606209D+00  0.691256D+01 -0.159276D+01 -0.796580D+01
      6   0.737341D+00  0.267633D+01 -0.971950D+00  0.234813D+01  0.400657D+01
                 6             7             8             9            10 
      1  -0.437828D+00 -0.235715D+02  0.286944D+01  0.129054D+02 -0.112048D+02
      2   0.131595D+01  0.764401D+01  0.161345D+00  0.908943D+01  0.511102D+00
      3  -0.878119D+00  0.159275D+02 -0.303079D+01 -0.219948D+02  0.106937D+02
      4  -0.100138D+02  0.588629D+01 -0.131343D+02  0.240742D+01 -0.596374D+01
      5   0.860511D+00  0.241267D+01  0.150983D+01  0.320374D+02  0.174621D+02
      6   0.149691D+01  0.484280D+00  0.205217D+01 -0.789989D+01 -0.532360D+01
                11            12            13            14            15 
      1  -0.242609D+01  0.145494D+02 -0.304371D+01  0.202349D+02  0.416855D+01
      2   0.333117D+00 -0.100487D+02  0.398452D+00 -0.231898D+02 -0.645927D+01
      3   0.209297D+01 -0.450066D+01  0.264525D+01  0.295491D+01  0.229072D+01
      4   0.889515D+01 -0.265703D+01  0.212701D+02  0.351895D+01  0.527040D+01
      5   0.453194D+00 -0.228683D+01  0.602446D+00  0.558837D+01  0.389131D-01
      6   0.257235D+00  0.606517D+00  0.106736D+01 -0.107893D+02  0.432707D+01
                16            17            18            19            20 
      1   0.193295D+02  0.720061D+00  0.272975D+01 -0.508695D+01 -0.175523D+01
      2  -0.921880D+01 -0.375652D+01 -0.212195D+01  0.917582D+01 -0.391217D+01
      3  -0.101107D+02  0.303646D+01 -0.607804D+00 -0.408887D+01  0.566740D+01
      4  -0.560621D+01  0.533000D+01  0.156894D+01 -0.303648D+01 -0.217977D+01
      5  -0.125027D+01  0.184829D+01 -0.138341D+02 -0.567214D+01 -0.124924D+01
      6  -0.380156D+00 -0.291594D+01  0.485703D+01  0.160384D+01  0.137636D+01
                21            22            23            24            25 
      1  -0.296358D+01  0.363971D+01  0.903292D+00  0.656713D+00 -0.974548D+01
      2   0.516854D+01 -0.518576D+01 -0.218585D+01  0.465838D+01  0.516661D+01
      3  -0.220496D+01  0.154605D+01  0.128256D+01 -0.531509D+01  0.457888D+01
      4   0.725600D+00 -0.146102D+02  0.331335D+01 -0.268990D+01  0.443213D+01
      5   0.130929D+01  0.163347D+01  0.459245D+00  0.526503D+01  0.312987D+01
      6  -0.593843D+00 -0.413544D+01  0.579621D+01 -0.968279D+01 -0.155698D+01
                26            27            28            29            30 
      1   0.867172D+01  0.852357D+01 -0.540623D+01  0.113844D+02 -0.464548D+00
      2  -0.478793D+01  0.191564D+02  0.303325D+01 -0.826088D+01 -0.344789D+01
      3  -0.388378D+01 -0.276799D+02  0.237297D+01 -0.312353D+01  0.391244D+01
      4   0.978270D+00 -0.211879D+01  0.107827D+02 -0.712381D+01 -0.879630D+01
      5  -0.926277D+00  0.116674D+01  0.704026D+01 -0.785584D+01 -0.128171D+02
      6   0.667738D+01 -0.224136D+01 -0.581345D+01  0.186458D+01 -0.271789D+01
                31            32            33            34            35 
      1   0.179714D+02  0.590812D+01 -0.514646D+01  0.172162D+02 -0.239868D+01
      2  -0.955009D+01 -0.707342D+01  0.911723D+01 -0.948591D+01 -0.362520D+01
      3  -0.842135D+01  0.116530D+01 -0.397077D+01 -0.773033D+01  0.602388D+01
      4  -0.216666D+01 -0.161820D+01 -0.162817D+01 -0.106518D+02  0.772720D+01
      5  -0.174025D+02 -0.976906D+00 -0.327409D+01 -0.120171D+02  0.374890D+00
      6  -0.345953D+01 -0.644816D+01 -0.232696D+01 -0.967938D+00 -0.179473D+01
                36            37            38            39            40 
      1  -0.804312D+01 -0.193306D+02 -0.100766D+02  0.753465D+01 -0.977083D+01
      2   0.555511D+01  0.370246D+01  0.413095D+01 -0.458041D+01  0.403229D+01
      3   0.248801D+01  0.156281D+02  0.594561D+01 -0.295424D+01  0.573854D+01
      4   0.328738D+01 -0.171958D+02 -0.584703D+01  0.670260D+01  0.311403D+01
      5   0.150823D+02  0.783968D+01  0.400834D+01  0.764678D+01  0.841856D+01
      6  -0.573424D+01  0.574475D+01  0.219585D+01  0.163970D+01  0.624616D+01
                41            42            43            44            45 
      1  -0.174552D+02 -0.805631D+00  0.126873D+02  0.132720D+01 -0.386880D+01
      2   0.216914D+02  0.233048D+00 -0.513522D+01  0.275402D+01 -0.383784D+01
      3  -0.423623D+01  0.572583D+00 -0.755210D+01 -0.408121D+01  0.770664D+01
      4   0.137414D+02  0.803828D+01  0.146672D+02  0.115829D+02  0.556463D+01
      5   0.821621D+01  0.790774D+01  0.125063D+02  0.862292D+01  0.151371D+02
      6   0.873966D+01  0.965044D+01  0.380703D+01  0.101138D+02  0.923963D+01
                46            47            48            49            50 
      1   0.133213D+02  0.674620D+01 -0.122157D+02  0.522855D+01 -0.433526D+01
      2  -0.143397D+01 -0.870443D-01  0.334629D+01  0.401536D+00  0.102696D+02
      3  -0.118873D+02 -0.665915D+01  0.886937D+01 -0.563009D+01 -0.593437D+01
      4   0.654602D+01 -0.145413D+02  0.946497D+01 -0.168155D+02 -0.199871D+01
      5  -0.697695D+01  0.105460D+02 -0.113956D+02  0.826713D+01 -0.194590D+02
      6   0.168859D+02 -0.118257D+02  0.108778D+00 -0.134855D+02 -0.506153D+01
                51            52            53            54            55 
      1   0.925726D+00 -0.102793D+02 -0.585655D+00 -0.771682D+01  0.123085D+01
      2   0.423241D+01  0.229730D+01  0.246321D+01 -0.639612D+01 -0.353716D+01
      3  -0.515814D+01  0.798204D+01 -0.187756D+01  0.141129D+02  0.230632D+01
      4  -0.126656D+02  0.744619D+01 -0.852278D+01 -0.282140D-01 -0.188946D+02
      5   0.966005D+00 -0.127319D+02 -0.617126D+00  0.110882D+02  0.625572D+01
      6  -0.153102D+02  0.258114D+00 -0.111702D+02 -0.381355D+00 -0.151738D+01
                56            57            58            59            60 
      1  -0.292294D+01  0.306427D+01 -0.324496D+01 -0.229216D+02  0.384045D+01
      2   0.104921D+00 -0.267319D+01  0.142820D+01  0.336979D+02 -0.726606D+01
      3   0.281802D+01 -0.391075D+00  0.181676D+01 -0.107763D+02  0.342561D+01
      4  -0.118722D+01 -0.256995D+01  0.307530D+01 -0.458792D+01  0.218137D+00
      5  -0.138686D+01  0.435501D+01 -0.294872D+00 -0.968090D+00 -0.380923D+01
      6  -0.297746D+01  0.559778D+01  0.635461D+00 -0.684298D+01  0.723537D+01
                61            62            63            64            65 
      1   0.144544D+01  0.533311D+01 -0.337498D+00  0.343892D+02 -0.971084D+01
      2  -0.468354D+01 -0.101284D+01 -0.660143D+01 -0.187571D+02  0.387601D+01
      3   0.323810D+01 -0.432027D+01  0.693893D+01 -0.156321D+02  0.583483D+01
      4  -0.229869D+01 -0.114976D+01  0.330011D+01 -0.154388D+02  0.163413D+02
      5   0.270320D+01  0.185436D+00  0.162298D+01 -0.175917D+02  0.779718D+01
      6   0.300290D+01  0.101593D+00 -0.186811D+02  0.250382D+01 -0.348223D+01
                66            67            68            69            70 
      1  -0.885607D+01 -0.152706D+02  0.725515D+00  0.164153D+01 -0.157022D+02
      2   0.928314D+01  0.644443D+01  0.520301D+01 -0.266026D+01  0.106441D+02
      3  -0.427070D+00  0.882614D+01 -0.592853D+01  0.101872D+01  0.505812D+01
      4   0.798641D+01  0.156430D+02 -0.164386D+02 -0.886113D+01  0.556814D+01
      5   0.191094D+02  0.816058D+01 -0.900257D+01 -0.661558D+01  0.222392D+02
      6  -0.177409D+01 -0.432333D+01  0.328920D+01  0.768264D+01 -0.332698D+01
                71            72            73            74            75 
      1  -0.382675D+00  0.279830D+01  0.129445D+01  0.387618D+00  0.103606D+00
      2   0.477267D+00 -0.147113D+02 -0.537156D+01  0.578182D+00  0.181157D-01
      3  -0.945920D-01  0.119130D+02  0.407711D+01 -0.965799D+00 -0.121722D+00
      4  -0.130508D+02 -0.103506D+02 -0.208305D+00  0.185573D+01 -0.304804D+00
      5  -0.837956D+01 -0.298907D+02  0.712257D-01  0.518254D+00  0.682435D+01
      6   0.736554D+01  0.421083D+01 -0.240946D+00  0.314569D+00 -0.393656D+00
                76            77            78            79            80 
      1   0.107436D+01 -0.401534D+01 -0.114790D+01  0.112905D+01 -0.134575D+00
      2   0.257283D+00 -0.733790D+00 -0.301705D+01  0.403873D+00 -0.475015D+01
      3  -0.133165D+01  0.474913D+01  0.416495D+01 -0.153292D+01  0.488472D+01
      4   0.270931D+01 -0.236337D+00  0.702172D+00 -0.432179D-01 -0.259207D+00
      5   0.441483D+00  0.125317D-01 -0.680508D+00  0.541723D+01 -0.911974D-01
      6   0.102022D+01  0.634240D+00  0.811795D+01  0.942890D+00  0.464789D+01
                81            82            83            84            85 
      1  -0.203231D+02 -0.346105D+00 -0.376143D+01 -0.263851D+01 -0.559900D+01
      2  -0.208909D+02  0.411553D+01  0.503824D+01  0.239694D+01  0.573416D+01
      3   0.412140D+02 -0.376943D+01 -0.127681D+01  0.241568D+00 -0.135166D+00
      4   0.940150D+00  0.105297D+01  0.435701D+01  0.766116D+00  0.267903D+01
      5   0.154502D+00 -0.170860D+01  0.683965D+00  0.118076D+01  0.114084D+01
      6  -0.856188D+00  0.169561D+01  0.203465D+01  0.662509D+00  0.133699D+01
                86            87            88            89            90 
      1  -0.204187D+02 -0.256468D+01 -0.418240D+01 -0.433541D+01 -0.526731D+01
      2   0.322052D+02  0.579857D+01  0.264787D+01  0.426188D+01  0.299022D+01
      3  -0.117866D+02 -0.323388D+01  0.153453D+01  0.735265D-01  0.227710D+01
      4  -0.104804D+02 -0.199777D+01  0.286131D+00 -0.249324D+01 -0.162372D+01
      5  -0.248792D+01 -0.346867D+01  0.254129D+01 -0.221784D+01 -0.643281D-01
      6   0.858019D+01  0.705167D+01  0.141167D+01  0.961200D+01  0.476964D+01
                91            92            93            94            95 
      1   0.398590D+02  0.160138D+02 -0.202353D+01  0.668712D+01  0.529379D+01
      2  -0.138419D+02 -0.305301D+01 -0.148171D+00  0.123922D+01  0.287796D+01
      3  -0.260172D+02 -0.129608D+02  0.217170D+01 -0.792634D+01 -0.817175D+01
      4   0.303377D+02  0.202432D+02 -0.528600D+00  0.146468D+02  0.138573D+02
      5   0.337633D+01  0.197470D+01  0.550865D+01  0.770606D+00  0.109335D+01
      6  -0.827208D+00  0.415848D+00  0.242663D+01  0.529369D+00  0.493051D+00
                96            97            98            99           100 
      1  -0.515936D+00 -0.118817D+02 -0.549219D+01  0.358288D+01  0.212810D+00
      2  -0.257000D+00  0.361092D+01  0.444117D+00 -0.143446D+01  0.780626D-01
      3   0.772936D+00  0.827075D+01  0.504808D+01 -0.214842D+01 -0.290873D+00
      4  -0.331030D+00 -0.107532D+02 -0.754189D+01  0.463510D+01 -0.172531D+01
      5   0.220889D+01  0.600815D+01  0.323946D+01 -0.185418D+01 -0.854217D+00
      6   0.198936D+01  0.365155D+01  0.272602D+01 -0.157365D+01  0.234727D+01
               101           102           103           104           105 
      1   0.419465D+01 -0.315305D+00  0.881931D+00 -0.483284D+01 -0.256109D+01
      2  -0.608010D+01 -0.123028D+01 -0.142609D+01  0.728310D+01  0.357877D+01
      3   0.188545D+01  0.154558D+01  0.544162D+00 -0.245026D+01 -0.101768D+01
      4   0.263035D+01  0.164119D+01  0.266822D+01 -0.143936D+01 -0.437642D+00
      5   0.785030D-01  0.662683D+00  0.447958D+00 -0.510688D+00  0.287136D+00
      6   0.784075D+00 -0.743176D+01 -0.339931D+00  0.316751D+01  0.103278D+02
               106           107           108           109           110 
      1   0.771030D+00 -0.749375D+01 -0.851251D+01  0.583348D+01 -0.247936D+01
      2   0.627973D-01  0.843835D+01  0.576137D+01  0.421704D+01  0.906243D+01
      3  -0.833828D+00 -0.944606D+00  0.275114D+01 -0.100505D+02 -0.658307D+01
      4   0.410207D+01 -0.743804D+00 -0.374882D+01  0.219864D+02  0.144465D+02
      5   0.129702D+01 -0.677487D+00 -0.430730D+00 -0.438054D+01 -0.724170D+00
      6  -0.464605D+01  0.109015D+02  0.176697D+02 -0.183618D+01 -0.266154D+00
               111           112           113           114           115 
      1  -0.140831D+01  0.122202D+01 -0.111984D+01  0.349726D+00 -0.227299D+01
      2   0.142173D+01  0.356706D+01  0.671440D+01 -0.411533D+00  0.293083D+01
      3  -0.134224D-01 -0.478908D+01 -0.559457D+01  0.618074D-01 -0.657838D+00
      4  -0.774891D+00  0.133186D+02  0.787131D+01  0.207684D+01 -0.150446D+01
      5   0.248305D+01 -0.394175D+00  0.914609D-01  0.156405D+01  0.361889D+01
      6   0.298696D+01  0.147483D+01 -0.462041D+00  0.323032D+01  0.776220D+00
               116           117           118           119           120 
      1   0.823314D+00 -0.953248D+00  0.217517D+01  0.215390D+01  0.197109D+01
      2  -0.636451D-01  0.594342D+00 -0.320145D+01 -0.252646D+01 -0.320387D+01
      3  -0.759669D+00  0.358906D+00  0.102628D+01  0.372560D+00  0.123279D+01
      4   0.161842D+01  0.120604D+01  0.360594D+01  0.690019D+01  0.148584D+01
      5   0.443836D+00 -0.942704D+00  0.606898D+01  0.407076D+01  0.775192D+01
      6   0.402489D+01 -0.643377D+00  0.198453D+01  0.538165D+01  0.191038D+01
               121           122           123           124           125 
      1   0.350510D+01 -0.269963D+01 -0.475335D+01  0.662228D+00 -0.287925D+01
      2  -0.418155D+01 -0.818823D+00 -0.681574D+01 -0.212361D+01 -0.344994D+01
      3   0.676454D+00  0.351845D+01  0.115691D+02  0.146139D+01  0.632919D+01
      4   0.653673D+01  0.134197D+02  0.689192D+01  0.647604D+00  0.471663D+01
      5   0.747803D+01  0.106695D+02  0.107398D+02  0.584636D+01  0.558086D+01
      6   0.583095D+01  0.184750D+02  0.105134D+02  0.226258D+01  0.987874D+01
               126           127           128           129           130 
      1  -0.417005D+01 -0.968492D+01 -0.559251D+01  0.133013D+02 -0.414151D+01
      2  -0.411569D+01  0.391819D+00  0.227075D+01  0.239241D+01  0.226110D+01
      3   0.828574D+01  0.929310D+01  0.332176D+01 -0.156937D+02  0.188041D+01
      4   0.396956D+01  0.558477D+01  0.343617D+01 -0.372120D+01  0.441772D+01
      5   0.621529D+01 -0.124167D+02 -0.383427D+01  0.582872D+01 -0.372960D+01
      6   0.640034D+01 -0.743706D+01 -0.570804D+01  0.740410D+01 -0.342334D+01
               131           132           133           134           135 
      1  -0.438297D+01  0.412054D+01  0.928073D+01  0.367578D+01 -0.113382D+02
      2   0.194826D+01 -0.127037D+01  0.170781D+01 -0.593392D+00 -0.450989D+01
      3   0.243471D+01 -0.285017D+01 -0.109885D+02 -0.308239D+01  0.158481D+02
      4   0.172255D+01  0.362451D+00 -0.261339D+01 -0.666570D-01  0.222495D+01
      5   0.237531D+00  0.681472D+00  0.871023D+01  0.156038D+01 -0.512768D+01
      6  -0.409392D+01  0.725465D+01  0.448075D+01  0.619573D+01 -0.615282D+01
               136           137           138           139           140 
      1   0.114187D+02 -0.418750D+01  0.228414D+01 -0.480274D+01 -0.218305D+01
      2  -0.754404D+01  0.461171D+00 -0.584399D+01  0.459256D+00  0.544356D+01
      3  -0.387461D+01  0.372632D+01  0.355984D+01  0.434348D+01 -0.326051D+01
      4  -0.158817D+02  0.145705D+02 -0.909569D+01  0.154108D+02 -0.158631D+02
      5   0.200402D+02 -0.123572D+02  0.170076D+02 -0.133777D+02  0.136645D+02
      6  -0.118846D+02  0.118839D+02 -0.921024D+01  0.113923D+02 -0.152726D+02
               141           142           143           144           145 
      1   0.333685D+01  0.144739D+01  0.235959D+01 -0.222253D+01  0.125963D+01
      2   0.105654D+01 -0.438050D+01  0.104237D+01 -0.447932D+01 -0.281189D+01
      3  -0.439339D+01  0.293311D+01 -0.340195D+01  0.670185D+01  0.155226D+01
      4   0.992732D+01 -0.550819D+01  0.617833D+01 -0.748144D+01 -0.137506D+01
      5  -0.116930D+02  0.123639D+02 -0.804375D+01  0.117318D+02 -0.326100D+01
      6   0.136040D+02 -0.679456D+01  0.101343D+02 -0.979221D+01  0.727355D+00
               146           147           148           149           150 
      1  -0.144155D+01 -0.469996D+01 -0.187422D+01  0.832627D+00 -0.132692D+01
      2   0.442752D+00  0.254253D+01  0.529433D+00 -0.121006D+01  0.616979D+00
      3   0.998803D+00  0.215742D+01  0.134479D+01  0.377435D+00  0.709941D+00
      4   0.287672D+01  0.232787D+00  0.559017D+01 -0.188839D+00 -0.408195D+01
      5   0.116454D+00  0.626811D+01  0.775958D+00 -0.384476D+01 -0.141831D+01
      6   0.462476D-01  0.624804D+00 -0.146691D+01  0.147872D+01  0.677915D+01
               151           152           153           154           155 
      1  -0.778417D+01 -0.105810D+01 -0.129255D+02  0.161011D+02  0.909032D+01
      2   0.865008D+01  0.203297D+00 -0.203882D+02 -0.536943D+01 -0.290716D+01
      3  -0.865918D+00  0.854800D+00  0.333137D+02 -0.107317D+02 -0.618317D+01
      4   0.106142D+01 -0.547540D+01 -0.256163D+01  0.960089D+01  0.158475D+02
      5   0.156735D+02 -0.186089D+01 -0.465769D+02  0.112104D+01  0.388461D+00
      6  -0.216427D+01  0.661812D+01  0.839276D+01 -0.100015D+01 -0.251216D+01
               156           157           158           159           160 
      1   0.281179D+01  0.186574D+02  0.115115D+02  0.437849D+00  0.885888D+01
      2  -0.813145D+00 -0.801823D+01  0.268302D+01  0.130776D+01 -0.384227D+01
      3  -0.199865D+01 -0.106392D+02 -0.141945D+02 -0.174561D+01 -0.501661D+01
      4   0.129881D+01  0.193727D+02  0.301520D+02  0.303478D+01  0.293484D+01
      5   0.323349D+01 -0.199591D+01  0.318474D+01  0.776988D+01  0.404880D+01
      6   0.404819D+00 -0.154174D+01 -0.511957D+01  0.164809D+01  0.119230D+01
               161           162           163           164           165 
      1   0.197046D+01  0.639463D+00  0.444949D+02 -0.184694D+02  0.515281D+01
      2   0.103477D+00 -0.190645D+01 -0.169591D+02  0.504063D+01 -0.138369D+01
      3  -0.207393D+01  0.126699D+01 -0.275358D+02  0.134287D+02 -0.376912D+01
      4   0.663894D+01  0.435924D+01 -0.268952D+02  0.219686D+02 -0.287721D+01
      5   0.498530D+01  0.243863D+00  0.972699D+00 -0.604567D+00  0.710169D+01
      6   0.171352D+01  0.127174D+01  0.165018D+01 -0.245960D+01 -0.127954D+01
               166           167           168           169           170 
      1  -0.257987D+02  0.147585D+02 -0.156307D+01  0.142821D+02 -0.433533D+01
      2   0.665890D+01  0.192791D+01 -0.106847D+01 -0.520629D+01  0.345346D+00
      3   0.191398D+02 -0.166864D+02  0.263155D+01 -0.907581D+01  0.398999D+01
      4   0.286666D+02 -0.234842D+02  0.364961D+01 -0.805287D+01  0.766710D+01
      5   0.650394D+00  0.199831D+01 -0.733003D+01  0.792425D+01 -0.516840D+01
      6  -0.224116D+01  0.144717D+01  0.309560D+01 -0.206467D+01  0.222755D+01
               171 
      1   0.337642D+01
      2  -0.287634D+01
      3  -0.500074D+00
      4  -0.555028D+01
      5   0.170601D+01
      6  -0.838112D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:53:50 2021, MaxMem=  5368709120 cpu:            6209.5 elap:             778.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20719 -19.15132 -14.31864 -10.32647 -10.23132
 Alpha  occ. eigenvalues --  -10.20164 -10.18528 -10.17938  -1.12643  -1.03743
 Alpha  occ. eigenvalues --   -0.90487  -0.80534  -0.72630  -0.69873  -0.62160
 Alpha  occ. eigenvalues --   -0.57747  -0.53363  -0.50330  -0.48785  -0.46973
 Alpha  occ. eigenvalues --   -0.45319  -0.44485  -0.42007  -0.41925  -0.39500
 Alpha  occ. eigenvalues --   -0.38545  -0.36111  -0.35411  -0.34670  -0.33439
 Alpha  occ. eigenvalues --   -0.29209  -0.24900
 Alpha virt. eigenvalues --   -0.01753  -0.01145  -0.00801   0.00648   0.00982
 Alpha virt. eigenvalues --    0.02227   0.03027   0.03620   0.03835   0.04136
 Alpha virt. eigenvalues --    0.05641   0.06681   0.06935   0.07791   0.08172
 Alpha virt. eigenvalues --    0.08201   0.09255   0.09577   0.09963   0.10166
 Alpha virt. eigenvalues --    0.10455   0.11155   0.11939   0.12245   0.12805
 Alpha virt. eigenvalues --    0.13177   0.13283   0.13563   0.14065   0.14673
 Alpha virt. eigenvalues --    0.15443   0.16229   0.17153   0.18010   0.18709
 Alpha virt. eigenvalues --    0.18816   0.19737   0.20117   0.20357   0.21084
 Alpha virt. eigenvalues --    0.21648   0.22509   0.22652   0.22943   0.24252
 Alpha virt. eigenvalues --    0.25306   0.25603   0.26117   0.26974   0.27237
 Alpha virt. eigenvalues --    0.27504   0.28248   0.29417   0.30695   0.31300
 Alpha virt. eigenvalues --    0.32528   0.33464   0.33609   0.34050   0.35143
 Alpha virt. eigenvalues --    0.35407   0.36163   0.36475   0.36878   0.37526
 Alpha virt. eigenvalues --    0.38172   0.38562   0.39724   0.40836   0.42364
 Alpha virt. eigenvalues --    0.42945   0.43206   0.43665   0.44856   0.45142
 Alpha virt. eigenvalues --    0.45477   0.46581   0.46977   0.47645   0.48677
 Alpha virt. eigenvalues --    0.48918   0.49797   0.50247   0.51026   0.51762
 Alpha virt. eigenvalues --    0.52623   0.54304   0.54446   0.55109   0.55445
 Alpha virt. eigenvalues --    0.57573   0.58265   0.59256   0.59393   0.61345
 Alpha virt. eigenvalues --    0.61960   0.62239   0.63569   0.64241   0.64763
 Alpha virt. eigenvalues --    0.66082   0.66410   0.67680   0.67894   0.69304
 Alpha virt. eigenvalues --    0.70030   0.71105   0.72830   0.73153   0.74279
 Alpha virt. eigenvalues --    0.75082   0.76470   0.76684   0.77578   0.77969
 Alpha virt. eigenvalues --    0.79715   0.80341   0.81967   0.82180   0.83963
 Alpha virt. eigenvalues --    0.85413   0.86329   0.89367   0.90101   0.90995
 Alpha virt. eigenvalues --    0.91727   0.92938   0.95305   0.96251   0.96786
 Alpha virt. eigenvalues --    0.99179   0.99716   1.01807   1.03388   1.05082
 Alpha virt. eigenvalues --    1.06673   1.07290   1.09841   1.09987   1.11844
 Alpha virt. eigenvalues --    1.12738   1.13891   1.16549   1.17828   1.19619
 Alpha virt. eigenvalues --    1.21082   1.24083   1.25133   1.26998   1.28470
 Alpha virt. eigenvalues --    1.32698   1.34148   1.35136   1.37930   1.39760
 Alpha virt. eigenvalues --    1.40384   1.41425   1.44409   1.47595   1.48578
 Alpha virt. eigenvalues --    1.50302   1.52931   1.54363   1.56719   1.58601
 Alpha virt. eigenvalues --    1.59996   1.60653   1.64018   1.65431   1.66732
 Alpha virt. eigenvalues --    1.68938   1.70463   1.73059   1.75558   1.77778
 Alpha virt. eigenvalues --    1.78099   1.79635   1.81393   1.82065   1.82888
 Alpha virt. eigenvalues --    1.84388   1.86387   1.86809   1.88397   1.89354
 Alpha virt. eigenvalues --    1.91410   1.92789   1.93834   1.97922   2.00978
 Alpha virt. eigenvalues --    2.01482   2.02613   2.05471   2.06601   2.07942
 Alpha virt. eigenvalues --    2.10605   2.11279   2.12234   2.13953   2.16155
 Alpha virt. eigenvalues --    2.16942   2.19233   2.20224   2.20418   2.22350
 Alpha virt. eigenvalues --    2.26021   2.27318   2.29285   2.30830   2.32462
 Alpha virt. eigenvalues --    2.33620   2.34363   2.37799   2.38269   2.41213
 Alpha virt. eigenvalues --    2.45629   2.49328   2.50509   2.52478   2.53263
 Alpha virt. eigenvalues --    2.55729   2.58556   2.60824   2.65332   2.66235
 Alpha virt. eigenvalues --    2.70192   2.74132   2.75967   2.78117   2.80482
 Alpha virt. eigenvalues --    2.86037   2.88778   2.93047   2.95844   3.01108
 Alpha virt. eigenvalues --    3.11525   3.13325   3.25364   3.32679   3.38078
 Alpha virt. eigenvalues --    3.39522   3.41237   3.42183   3.43834   3.44733
 Alpha virt. eigenvalues --    3.51147   3.52991   3.65901   3.70183   3.83514
 Alpha virt. eigenvalues --    4.03060
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.244147  -0.733263   0.636189  -0.291223   0.021988  -0.293010
     2  C   -0.733263   9.080815  -2.513680   0.559085   0.017846   0.163917
     3  C    0.636189  -2.513680  12.472775  -2.716818  -0.047432  -0.676024
     4  C   -0.291223   0.559085  -2.716818   7.802150  -0.145453  -0.014661
     5  O    0.021988   0.017846  -0.047432  -0.145453   8.346234   0.038348
     6  C   -0.293010   0.163917  -0.676024  -0.014661   0.038348   4.765396
     7  N   -0.078196   0.349812  -0.952751   0.255930   0.039620   0.089811
     8  O    0.033500  -0.003566   0.178448  -0.087409   0.000058   0.007766
     9  H   -0.202668   0.615717  -1.701444   0.077188  -0.035418   0.160008
    10  H    0.034518  -1.633403   0.540918  -0.102854  -0.019372   0.108982
    11  H   -0.007361   0.000922   0.035618  -0.074807   0.264415  -0.006190
    12  H   -0.010859   0.025909  -0.067530  -0.103627  -0.002275   0.013608
    13  H    0.022986  -0.110342  -0.042946   0.010709   0.002501   0.009754
    14  H   -0.151926   0.035234  -0.172504   0.044909  -0.009516   0.230961
    15  H   -0.143836   0.262814  -0.352421   0.121940  -0.000585   0.236265
    16  H    0.159461   0.063448   0.192325  -0.042063   0.005938  -0.125466
    17  H   -0.148977   0.552145  -0.176100   0.049464   0.002522  -0.054133
    18  H    0.370543  -0.425851   0.044286   0.045516   0.001791  -0.099891
    19  H    0.073865   0.192147   0.101995  -0.069573  -0.000859   0.058454
               7          8          9         10         11         12
     1  C   -0.078196   0.033500  -0.202668   0.034518  -0.007361  -0.010859
     2  C    0.349812  -0.003566   0.615717  -1.633403   0.000922   0.025909
     3  C   -0.952751   0.178448  -1.701444   0.540918   0.035618  -0.067530
     4  C    0.255930  -0.087409   0.077188  -0.102854  -0.074807  -0.103627
     5  O    0.039620   0.000058  -0.035418  -0.019372   0.264415  -0.002275
     6  C    0.089811   0.007766   0.160008   0.108982  -0.006190   0.013608
     7  N    6.713570   0.003625   0.140955  -0.082239   0.000049   0.312853
     8  O    0.003625   8.501376  -0.047277  -0.004972  -0.045509   0.022410
     9  H    0.140955  -0.047277   2.606802  -0.033303   0.012647   0.045127
    10  H   -0.082239  -0.004972  -0.033303   2.940002  -0.000356   0.001952
    11  H    0.000049  -0.045509   0.012647  -0.000356   0.662128  -0.000714
    12  H    0.312853   0.022410   0.045127   0.001952  -0.000714   0.913524
    13  H    0.283230   0.000859   0.017590  -0.011670   0.000732  -0.114960
    14  H   -0.011846  -0.002890   0.010897   0.115937  -0.000107   0.023240
    15  H    0.055713   0.007535   0.025121  -0.017594   0.003647  -0.001182
    16  H   -0.022842  -0.001166   0.009875  -0.121090  -0.000403   0.001946
    17  H    0.024346   0.000138  -0.054588  -0.099133   0.000209   0.005256
    18  H    0.019100   0.001023  -0.023800   0.168086   0.000482  -0.001005
    19  H   -0.029279   0.002170   0.030008  -0.137286  -0.001353  -0.004692
              13         14         15         16         17         18
     1  C    0.022986  -0.151926  -0.143836   0.159461  -0.148977   0.370543
     2  C   -0.110342   0.035234   0.262814   0.063448   0.552145  -0.425851
     3  C   -0.042946  -0.172504  -0.352421   0.192325  -0.176100   0.044286
     4  C    0.010709   0.044909   0.121940  -0.042063   0.049464   0.045516
     5  O    0.002501  -0.009516  -0.000585   0.005938   0.002522   0.001791
     6  C    0.009754   0.230961   0.236265  -0.125466  -0.054133  -0.099891
     7  N    0.283230  -0.011846   0.055713  -0.022842   0.024346   0.019100
     8  O    0.000859  -0.002890   0.007535  -0.001166   0.000138   0.001023
     9  H    0.017590   0.010897   0.025121   0.009875  -0.054588  -0.023800
    10  H   -0.011670   0.115937  -0.017594  -0.121090  -0.099133   0.168086
    11  H    0.000732  -0.000107   0.003647  -0.000403   0.000209   0.000482
    12  H   -0.114960   0.023240  -0.001182   0.001946   0.005256  -0.001005
    13  H    1.031599  -0.012000   0.004439  -0.005252  -0.008309  -0.020614
    14  H   -0.012000   1.942607  -0.288193  -0.483025   0.006974  -0.025091
    15  H    0.004439  -0.288193   1.885849  -0.472218  -0.025581   0.003366
    16  H   -0.005252  -0.483025  -0.472218   2.160184   0.027062  -0.003652
    17  H   -0.008309   0.006974  -0.025581   0.027062   2.055866  -0.361243
    18  H   -0.020614  -0.025091   0.003366  -0.003652  -0.361243   2.172113
    19  H    0.007541  -0.019820   0.013760  -0.013652  -0.478440  -0.545802
              19
     1  C    0.073865
     2  C    0.192147
     3  C    0.101995
     4  C   -0.069573
     5  O   -0.000859
     6  C    0.058454
     7  N   -0.029279
     8  O    0.002170
     9  H    0.030008
    10  H   -0.137286
    11  H   -0.001353
    12  H   -0.004692
    13  H    0.007541
    14  H   -0.019820
    15  H    0.013760
    16  H   -0.013652
    17  H   -0.478440
    18  H   -0.545802
    19  H    2.123737
 Mulliken charges:
               1
     1  C    1.464124
     2  C   -0.499704
     3  C    1.217096
     4  C    0.681598
     5  O   -0.480350
     6  C    1.386104
     7  N   -0.111461
     8  O   -0.566120
     9  H   -0.653439
    10  H   -0.647123
    11  H    0.155951
    12  H   -0.058981
    13  H   -0.065847
    14  H   -0.233840
    15  H   -0.318840
    16  H   -0.329412
    17  H   -0.317476
    18  H   -0.319358
    19  H   -0.302923
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.524367
     2  C   -1.146827
     3  C    0.563658
     4  C    0.681598
     5  O   -0.324399
     6  C    0.504012
     7  N   -0.236289
     8  O   -0.566120
 Electronic spatial extent (au):  <R**2>=           1045.6543
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.6118    Y=             -1.6852    Z=             -0.1706  Tot=              2.3381
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.2156   YY=            -51.4538   ZZ=            -52.3313
   XY=              5.7899   XZ=              1.6580   YZ=              0.5406
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.4513   YY=             -0.7869   ZZ=             -1.6644
   XY=              5.7899   XZ=              1.6580   YZ=              0.5406
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -23.0218  YYY=             -6.5518  ZZZ=             -2.6320  XYY=             -2.4155
  XXY=            -13.8179  XXZ=             -6.9436  XZZ=             -0.4578  YZZ=             -0.2110
  YYZ=              8.0410  XYZ=              1.5462
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -747.5639 YYYY=           -323.6633 ZZZZ=           -274.9837 XXXY=             52.8852
 XXXZ=             22.0494 YYYX=             27.5616 YYYZ=             20.4434 ZZZX=             -3.1512
 ZZZY=              5.2007 XXYY=           -158.7656 XXZZ=           -187.4415 YYZZ=           -102.9442
 XXYZ=             -4.6399 YYXZ=             -2.6461 ZZXY=              1.6256
 N-N= 4.086526817579D+02 E-N=-1.756534539986D+03  KE= 4.000117355569D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:53:50 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.04591913D-01-6.48839473D-01-5.52847422D-02
 Polarizability= 8.22684465D+01 7.08672778D-01 7.16520698D+01
                -2.79312531D+00 2.52988296D+00 6.99314743D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.2686    1.2676        0.1851    0.1843
 2     -1.2686   -1.2676       -1.0077   -1.0087       -5.6668   -5.6659
 3     -0.1851   -0.1843        6.8790    6.8785        1.0084    1.0087
 4      1.0077    1.0087        0.0000    0.0000       -0.1858   -0.1843
 5     -1.2122   -1.2127        0.1858    0.1843        1.2683    1.2676
 6     -1.0084   -1.0087       -1.2683   -1.2676       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.8027   -3.8027        0.5530    0.5530
 2      3.0261    3.0261       -0.0000    0.0000        0.5530    0.5530
 3      3.0261    3.0261       -3.8027   -3.8027       -0.0000    0.0000
 4     -3.8027   -3.8027       -3.0261   -3.0261      -16.9976  -16.9976
 5     -0.5530   -0.5530       20.6356   20.6356        3.0261    3.0261
 6     -3.6380   -3.6380        0.5530    0.5530        3.8027    3.8027
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0479    0.0000       -5.0531   -5.0702       -0.7203   -0.7374
 2      5.0972    5.0702        4.0649    4.0348       22.6193   22.6635
 3      0.7186    0.7374      -27.5116  -27.5141       -4.0569   -4.0348
 4     -4.0560   -4.0348       -0.0117    0.0000        0.7489    0.7374
 5      4.8455    4.8507       -0.6982   -0.7374       -5.0795   -5.0702
 6      4.0441    4.0348        5.0442    5.0702        0.0015    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0111    0.0000        7.3112    7.2773       -7.7590   -7.8003
 2     -7.2640   -7.2773        5.4184    5.5164        8.7701    8.8304
 3      7.8476    7.8003       23.0012   22.9846       -5.5037   -5.5164
 4     -5.5176   -5.5164        0.0177    0.0000        7.7771    7.8003
 5    -31.8085  -31.8150       -7.8681   -7.8003        7.2337    7.2773
 6      5.5266    5.5164       -7.3362   -7.2773       -0.0277    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.3001  -10.3904       21.7842   21.9109        8.8979    8.9436
 2    -18.4202  -18.4740       26.8092   26.8726        8.9262    8.9436
 3    -18.3972  -18.4740       21.8153   21.9109       10.8782   10.9382
 4     -4.9044   -4.9617        8.0552    8.0836       21.9866   22.0836
 5      2.0394    1.9946       39.1329   39.1567       -8.1659   -8.0836
 6    -61.2192  -61.2404       -2.1010   -1.9946        4.8835    4.9617
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0005    0.0007    0.0008    3.6031    6.8614    7.4295
 Low frequencies ---   55.9674   84.3057  177.0238
 Diagonal vibrational polarizability:
       22.7649292      24.8036039      20.1728203
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     55.9657                84.3054               177.0235
 Red. masses --      4.2165                 3.7206                 3.2649
 Frc consts  --      0.0078                 0.0156                 0.0603
 IR Inten    --      0.9726                 0.7299                 1.1156
 RamAct Fr= 1--      0.8480                 0.5249                 0.6491
  Dep-P Fr= 1--      0.7493                 0.7458                 0.6460
  Dep-U Fr= 1--      0.8567                 0.8544                 0.7849
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0012
 Beta2  Fr= 1--      0.1211                 0.0747                 0.0849
 AlphaG Fr= 1--     -0.0001                 0.0003                 0.0003
 Gamma2 Fr= 1--     -0.1866                 0.3025                 0.2099
 Delta2 Fr= 1--     -0.1941                 0.3181                 0.0980
 Raman1 Fr= 1--       3.392                  2.100                  2.597
 ROA1   Fr= 1--     -24.124                 39.217                 23.283
 CID1   Fr= 1--      -7.112                 18.677                  8.967
 Raman2 Fr= 1--       1.453                  0.897                  1.019
 ROA2   Fr= 1--      -2.926                  4.715                  4.253
 CID2   Fr= 1--      -2.014                  5.256                  4.173
 Raman3 Fr= 1--       2.906                  1.794                  2.038
 ROA3   Fr= 1--     -24.124                 39.217                 23.283
 CID3   Fr= 1--      -8.302                 21.861                 11.424
 RC180  Fr= 1--       0.713                  0.709                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.13   0.03    -0.06  -0.15  -0.14    -0.04  -0.13   0.01
     2   6     0.00  -0.01  -0.09    -0.02   0.00   0.02    -0.10   0.04  -0.06
     3   6    -0.00   0.02  -0.02     0.00   0.05   0.08    -0.01   0.13  -0.07
     4   6     0.00   0.04   0.02    -0.02   0.01  -0.03     0.06   0.02  -0.00
     5   8     0.10  -0.13   0.24     0.13  -0.08   0.03     0.18  -0.05   0.04
     6   6    -0.09  -0.23  -0.08     0.13   0.09   0.01    -0.20   0.02  -0.05
     7   7     0.03   0.01  -0.00     0.01   0.02   0.21    -0.01   0.12  -0.01
     8   8    -0.08   0.19  -0.13    -0.17   0.06  -0.16     0.08  -0.10   0.09
     9   1    -0.05   0.03  -0.02     0.03   0.14   0.07    -0.02   0.18  -0.07
    10   1     0.06   0.02  -0.25    -0.12   0.01   0.11    -0.20   0.08  -0.07
    11   1     0.09  -0.09   0.24     0.09  -0.09  -0.07     0.26  -0.20   0.13
    12   1    -0.06   0.03  -0.04    -0.12  -0.03   0.17     0.17   0.05   0.08
    13   1     0.05  -0.03   0.09     0.03  -0.01   0.37    -0.02   0.15  -0.17
    14   1    -0.24  -0.24   0.08     0.35   0.06  -0.09     0.03  -0.05  -0.03
    15   1    -0.09  -0.41  -0.18     0.12   0.30   0.10    -0.30   0.27  -0.12
    16   1    -0.03  -0.19  -0.14     0.03  -0.03  -0.01    -0.41  -0.17   0.01
    17   1     0.09   0.35   0.02    -0.17  -0.30  -0.13     0.02  -0.23   0.01
    18   1     0.01   0.08   0.25     0.01  -0.12  -0.33     0.03  -0.14  -0.05
    19   1     0.02   0.07  -0.08    -0.06  -0.13  -0.11    -0.13  -0.18   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    216.1581               221.7042               246.4993
 Red. masses --      1.1650                 1.1832                 1.0428
 Frc consts  --      0.0321                 0.0343                 0.0373
 IR Inten    --     17.5011                16.6063                 4.8632
 RamAct Fr= 1--      0.2767                 0.1542                 0.1115
  Dep-P Fr= 1--      0.3309                 0.3290                 0.5934
  Dep-U Fr= 1--      0.4973                 0.4951                 0.7449
 Alpha2 Fr= 1--      0.0026                 0.0014                 0.0003
 Beta2  Fr= 1--      0.0229                 0.0127                 0.0138
 AlphaG Fr= 1--     -0.0016                 0.0022                 0.0009
 Gamma2 Fr= 1--      0.2060                 0.0919                 0.0946
 Delta2 Fr= 1--      0.0568                -0.0030                -0.0439
 Raman1 Fr= 1--       1.107                  0.617                  0.446
 ROA1   Fr= 1--      21.590                  8.728                  7.677
 CID1   Fr= 1--      19.507                 14.155                 17.210
 Raman2 Fr= 1--       0.275                  0.153                  0.166
 ROA2   Fr= 1--       4.489                  2.230                  2.621
 CID2   Fr= 1--      16.309                 14.609                 15.777
 Raman3 Fr= 1--       0.550                  0.305                  0.332
 ROA3   Fr= 1--      21.590                  8.728                  7.677
 CID3   Fr= 1--      39.225                 28.592                 23.105
 RC180  Fr= 1--      -0.005                 -0.010                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.02     0.02   0.04   0.01     0.01   0.00   0.02
     2   6    -0.01   0.00  -0.01     0.01   0.00  -0.03    -0.01   0.01   0.00
     3   6     0.00   0.01  -0.02     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     4   6     0.02  -0.00  -0.01     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     5   8     0.01  -0.00   0.00    -0.05  -0.00   0.02    -0.01  -0.01  -0.00
     6   6    -0.05   0.06  -0.01    -0.03   0.00  -0.02     0.02   0.02   0.00
     7   7     0.03  -0.00   0.02    -0.00  -0.03   0.02     0.00   0.00  -0.03
     8   8     0.04  -0.01   0.02     0.05   0.02   0.00     0.00  -0.01   0.01
     9   1    -0.00   0.01  -0.02     0.00  -0.01  -0.04    -0.01  -0.03  -0.01
    10   1    -0.02  -0.00   0.01     0.04  -0.01  -0.03    -0.01   0.01   0.00
    11   1     0.02  -0.01   0.03    -0.04   0.03   0.05    -0.01  -0.01   0.01
    12   1    -0.39   0.03  -0.15    -0.37  -0.02  -0.13    -0.20   0.04  -0.12
    13   1     0.08  -0.11   0.50     0.04  -0.10   0.45     0.03  -0.07   0.21
    14   1    -0.45   0.18  -0.03     0.25  -0.08  -0.02     0.31  -0.05  -0.03
    15   1     0.03  -0.30  -0.03    -0.12   0.29  -0.05    -0.04   0.30   0.03
    16   1     0.21   0.35   0.02    -0.25  -0.21   0.01    -0.17  -0.18   0.01
    17   1    -0.04   0.04  -0.02     0.12  -0.26   0.02    -0.07   0.45   0.00
    18   1     0.07  -0.09   0.04    -0.14   0.17  -0.22     0.21  -0.18   0.40
    19   1    -0.06  -0.12  -0.09     0.11   0.24   0.27    -0.11  -0.27  -0.32
                      7                      8                      9
                      A                      A                      A
 Frequencies --    277.7104               296.1279               345.7699
 Red. masses --      2.3911                 3.2290                 3.6382
 Frc consts  --      0.1087                 0.1668                 0.2563
 IR Inten    --      4.8778                 0.9278                 0.2552
 RamAct Fr= 1--      0.4713                 0.6441                 0.6806
  Dep-P Fr= 1--      0.2348                 0.3008                 0.4672
  Dep-U Fr= 1--      0.3802                 0.4624                 0.6368
 Alpha2 Fr= 1--      0.0058                 0.0066                 0.0039
 Beta2  Fr= 1--      0.0299                 0.0496                 0.0722
 AlphaG Fr= 1--     -0.0088                 0.0017                -0.0015
 Gamma2 Fr= 1--     -0.3290                 0.1648                 0.0014
 Delta2 Fr= 1--      0.0178                 0.0490                -0.0749
 Raman1 Fr= 1--       1.885                  2.576                  2.722
 ROA1   Fr= 1--     -31.015                 17.389                 -2.261
 CID1   Fr= 1--     -16.453                  6.749                 -0.831
 Raman2 Fr= 1--       0.358                  0.596                  0.867
 ROA2   Fr= 1--      -8.038                  3.564                  0.633
 CID2   Fr= 1--     -22.427                  5.982                  0.730
 Raman3 Fr= 1--       0.717                  1.191                  1.734
 ROA3   Fr= 1--     -31.015                 17.389                 -2.261
 CID3   Fr= 1--     -43.269                 14.595                 -1.304
 RC180  Fr= 1--      -0.240                 -0.075                  0.274
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03   0.01    -0.17   0.16  -0.08    -0.18   0.06  -0.10
     2   6     0.02  -0.02  -0.08    -0.06  -0.03   0.04    -0.03  -0.03   0.12
     3   6     0.00  -0.04  -0.04    -0.01  -0.04   0.03     0.05  -0.03  -0.01
     4   6    -0.01  -0.03  -0.03    -0.01   0.01   0.03     0.10  -0.01  -0.10
     5   8    -0.09  -0.04   0.04     0.08   0.00  -0.03     0.02  -0.03  -0.01
     6   6    -0.09   0.16  -0.08    -0.08   0.03   0.05    -0.05  -0.05   0.14
     7   7     0.05  -0.10   0.18     0.28  -0.07  -0.05    -0.14  -0.03   0.06
     8   8     0.04   0.02  -0.03    -0.07  -0.06   0.04     0.24   0.10  -0.08
     9   1    -0.01   0.11  -0.06    -0.05  -0.10   0.04     0.23  -0.01  -0.01
    10   1     0.08  -0.06  -0.03     0.01  -0.05   0.06    -0.04  -0.03   0.14
    11   1    -0.09   0.04   0.08     0.09  -0.09  -0.07     0.03   0.03   0.05
    12   1     0.45  -0.29   0.38     0.24   0.09  -0.10    -0.05  -0.17   0.13
    13   1     0.02  -0.04  -0.23     0.36  -0.33   0.07    -0.20   0.18  -0.10
    14   1    -0.11   0.21  -0.21     0.00   0.02   0.01    -0.03  -0.07   0.18
    15   1    -0.13   0.24  -0.12    -0.11   0.14   0.03    -0.07  -0.04   0.10
    16   1    -0.13   0.21   0.09    -0.15  -0.02   0.10    -0.09  -0.09   0.13
    17   1     0.11   0.20   0.00    -0.30   0.14  -0.07    -0.49   0.18  -0.09
    18   1     0.06  -0.02   0.18    -0.29   0.22  -0.14    -0.18   0.06  -0.11
    19   1     0.02  -0.03  -0.06     0.01   0.30  -0.17    -0.03   0.07  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.8302               447.5626               579.5146
 Red. masses --      2.4333                 3.9923                 1.6063
 Frc consts  --      0.2269                 0.4712                 0.3178
 IR Inten    --      1.1885                 7.8298                62.4659
 RamAct Fr= 1--      0.5933                 1.5359                 1.3693
  Dep-P Fr= 1--      0.4395                 0.2299                 0.3292
  Dep-U Fr= 1--      0.6106                 0.3739                 0.4954
 Alpha2 Fr= 1--      0.0038                 0.0192                 0.0128
 Beta2  Fr= 1--      0.0604                 0.0957                 0.1130
 AlphaG Fr= 1--     -0.0125                 0.0069                -0.0022
 Gamma2 Fr= 1--      0.1656                 0.1285                -0.5857
 Delta2 Fr= 1--     -0.0404                -0.0628                -0.0332
 Raman1 Fr= 1--       2.373                  6.144                  5.477
 ROA1   Fr= 1--      14.603                 10.328                -57.293
 CID1   Fr= 1--       6.154                  1.681                -10.460
 Raman2 Fr= 1--       0.725                  1.149                  1.357
 ROA2   Fr= 1--       4.297                  3.586                -13.792
 CID2   Fr= 1--       5.931                  3.122                -10.167
 Raman3 Fr= 1--       1.449                  2.297                  2.713
 ROA3   Fr= 1--      14.603                 10.328                -57.293
 CID3   Fr= 1--      10.078                  4.496                -21.117
 RC180  Fr= 1--       0.221                 -0.252                 -0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.02   0.16    -0.05   0.01   0.06    -0.05  -0.00   0.02
     2   6    -0.16  -0.03  -0.02    -0.04  -0.18  -0.07    -0.02  -0.06  -0.02
     3   6    -0.06   0.05  -0.08    -0.03  -0.12   0.03     0.06   0.03   0.07
     4   6    -0.02   0.02  -0.10     0.04   0.06   0.13     0.08  -0.08   0.04
     5   8    -0.01  -0.05   0.00     0.23   0.13  -0.06    -0.02  -0.05   0.04
     6   6     0.15  -0.00  -0.04     0.00   0.04  -0.11    -0.01   0.01  -0.05
     7   7     0.05   0.01   0.02    -0.14  -0.15  -0.00     0.02   0.09  -0.01
     8   8     0.08  -0.01  -0.01    -0.01   0.12   0.06     0.01  -0.03  -0.04
     9   1     0.03   0.09  -0.09    -0.18  -0.15   0.03     0.03   0.05   0.07
    10   1    -0.17  -0.02  -0.01    -0.02  -0.18  -0.06    -0.09  -0.03  -0.06
    11   1     0.09  -0.13   0.18     0.14  -0.05  -0.37    -0.45   0.58  -0.49
    12   1     0.08  -0.05   0.05    -0.23  -0.13  -0.05    -0.04   0.20  -0.06
    13   1     0.08  -0.08   0.05    -0.21   0.07  -0.05     0.00   0.14  -0.03
    14   1     0.22   0.02  -0.16     0.03   0.13  -0.38    -0.01   0.05  -0.18
    15   1     0.33  -0.06   0.28     0.02   0.19   0.01    -0.00   0.07  -0.01
    16   1     0.34   0.07  -0.28     0.02   0.13   0.03     0.01   0.06   0.02
    17   1     0.10   0.04   0.15     0.10   0.13   0.05    -0.02   0.05   0.02
    18   1    -0.25   0.04   0.26    -0.26   0.04   0.23    -0.17   0.02   0.08
    19   1    -0.13   0.08   0.31     0.04   0.11   0.08     0.01   0.07   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    595.4457               661.8544               713.3014
 Red. masses --      1.9263                 2.9959                 3.2490
 Frc consts  --      0.4024                 0.7732                 0.9740
 IR Inten    --     31.9309                23.4973                24.9446
 RamAct Fr= 1--      2.0527                 2.3864                14.1732
  Dep-P Fr= 1--      0.3982                 0.3715                 0.0391
  Dep-U Fr= 1--      0.5696                 0.5418                 0.0753
 Alpha2 Fr= 1--      0.0153                 0.0195                 0.2873
 Beta2  Fr= 1--      0.1949                 0.2155                 0.1779
 AlphaG Fr= 1--     -0.0208                -0.0350                 0.1435
 Gamma2 Fr= 1--     -0.6127                -0.1585                 0.0473
 Delta2 Fr= 1--      0.4376                -0.0086                 0.0425
 Raman1 Fr= 1--       8.211                  9.546                 56.693
 ROA1   Fr= 1--     -44.820                -15.491                  5.904
 CID1   Fr= 1--      -5.459                 -1.623                  0.104
 Raman2 Fr= 1--       2.339                  2.586                  2.135
 ROA2   Fr= 1--     -18.207                 -3.736                  0.796
 CID2   Fr= 1--      -7.785                 -1.445                  0.373
 Raman3 Fr= 1--       4.677                  5.172                  4.270
 ROA3   Fr= 1--     -44.820                -15.491                  5.904
 CID3   Fr= 1--      -9.583                 -2.995                  1.383
 RC180  Fr= 1--       0.139                  0.084                 -0.849
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01     0.01  -0.00  -0.00    -0.11   0.01   0.05
     2   6    -0.05   0.18  -0.01     0.01  -0.04  -0.01    -0.05   0.17  -0.02
     3   6    -0.09  -0.03  -0.01    -0.05   0.00   0.20     0.10  -0.05   0.10
     4   6    -0.01  -0.06   0.06    -0.04  -0.12   0.08     0.20  -0.11   0.11
     5   8     0.05  -0.06  -0.04    -0.06  -0.11  -0.15    -0.04   0.12   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.00  -0.06    -0.02   0.03  -0.11
     7   7     0.01  -0.06   0.00     0.03   0.11  -0.01     0.01  -0.10   0.01
     8   8     0.06   0.08   0.02     0.09   0.14  -0.00    -0.03  -0.05  -0.12
     9   1    -0.18  -0.05  -0.01    -0.11   0.01   0.20    -0.03  -0.13   0.10
    10   1     0.03   0.14   0.04    -0.03  -0.01  -0.09    -0.06   0.17  -0.03
    11   1    -0.26   0.15  -0.59     0.24  -0.66   0.16     0.26  -0.01   0.59
    12   1     0.14  -0.13   0.07     0.01   0.42  -0.09    -0.09   0.07  -0.08
    13   1     0.08  -0.28   0.03     0.07  -0.02  -0.06    -0.07   0.10  -0.15
    14   1     0.04  -0.09   0.25    -0.05   0.05  -0.18     0.02  -0.05   0.07
    15   1     0.04  -0.12   0.01    -0.05   0.08  -0.08     0.02  -0.08  -0.09
    16   1     0.01  -0.10  -0.23    -0.03   0.06   0.10    -0.00  -0.07  -0.32
    17   1     0.03  -0.12   0.01     0.06   0.00  -0.00    -0.08  -0.10   0.05
    18   1     0.23  -0.06  -0.08    -0.03   0.00   0.03     0.07  -0.05  -0.01
    19   1    -0.19  -0.14   0.11     0.03   0.02   0.03    -0.29  -0.12   0.15
                     16                     17                     18
                      A                      A                      A
 Frequencies --    801.6191               859.5473               869.5482
 Red. masses --      1.8428                 2.3774                 2.8724
 Frc consts  --      0.6977                 1.0349                 1.2796
 IR Inten    --    181.7253                50.3793                 3.5335
 RamAct Fr= 1--      1.2681                11.0832                 4.4121
  Dep-P Fr= 1--      0.0626                 0.0525                 0.2423
  Dep-U Fr= 1--      0.1178                 0.0998                 0.3901
 Alpha2 Fr= 1--      0.0243                 0.2176                 0.0534
 Beta2  Fr= 1--      0.0249                 0.1843                 0.2869
 AlphaG Fr= 1--      0.0092                -0.0325                 0.0011
 Gamma2 Fr= 1--      0.2551                -0.2948                 0.5348
 Delta2 Fr= 1--     -0.2142                -0.3551                 0.9522
 Raman1 Fr= 1--       5.072                 44.333                 17.648
 ROA1   Fr= 1--      17.637                -39.664                 81.812
 CID1   Fr= 1--       3.477                 -0.895                  4.636
 Raman2 Fr= 1--       0.299                  2.212                  3.442
 ROA2   Fr= 1--       7.836                 -4.234                  5.218
 CID2   Fr= 1--      26.234                 -1.914                  1.516
 Raman3 Fr= 1--       0.597                  4.424                  6.885
 ROA3   Fr= 1--      17.637                -39.664                 81.812
 CID3   Fr= 1--      29.523                 -8.966                 11.883
 RC180  Fr= 1--      -0.764                 -0.800                 -0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.09  -0.00  -0.07    -0.07  -0.04   0.05
     2   6     0.00  -0.05  -0.02    -0.08  -0.04  -0.08     0.05   0.03   0.00
     3   6    -0.04  -0.01  -0.06    -0.09   0.08  -0.11     0.20   0.01  -0.20
     4   6     0.10  -0.09   0.10     0.08  -0.08   0.09    -0.02  -0.06   0.15
     5   8    -0.01   0.05  -0.01    -0.01   0.02  -0.02    -0.05  -0.07  -0.06
     6   6    -0.00  -0.00   0.05    -0.02  -0.00   0.18     0.00   0.03  -0.02
     7   7    -0.06   0.13  -0.05     0.06  -0.07   0.06     0.05   0.03   0.02
     8   8    -0.02   0.01  -0.05    -0.01   0.01  -0.04    -0.08   0.08   0.08
     9   1    -0.18  -0.00  -0.06    -0.33   0.15  -0.12     0.14   0.02  -0.20
    10   1    -0.02  -0.06   0.02    -0.11  -0.03  -0.05    -0.02   0.01   0.13
    11   1     0.08  -0.01   0.15     0.02   0.03   0.06    -0.02  -0.35  -0.19
    12   1     0.38  -0.46   0.30    -0.27   0.34  -0.20    -0.12  -0.29   0.02
    13   1     0.16  -0.45   0.38    -0.09   0.30  -0.30    -0.10   0.52   0.04
    14   1     0.01   0.01   0.02     0.06   0.00   0.10     0.03  -0.05   0.17
    15   1     0.02   0.01   0.10     0.07   0.01   0.38     0.01  -0.10  -0.06
    16   1     0.02   0.03   0.08     0.05   0.01   0.07    -0.02  -0.07  -0.17
    17   1     0.02   0.06  -0.01     0.27   0.09  -0.09    -0.23   0.05   0.06
    18   1    -0.09   0.02   0.03    -0.06   0.01   0.07    -0.23   0.02   0.04
    19   1     0.09   0.06  -0.03     0.13   0.07  -0.01     0.09   0.06  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.1728               957.8676               973.5137
 Red. masses --      1.1992                 2.1984                 1.4825
 Frc consts  --      0.6219                 1.1884                 0.8278
 IR Inten    --      0.7586                 9.7476                 0.0542
 RamAct Fr= 1--      0.7998                 5.8670                 2.1412
  Dep-P Fr= 1--      0.4420                 0.7116                 0.7349
  Dep-U Fr= 1--      0.6130                 0.8315                 0.8472
 Alpha2 Fr= 1--      0.0051                 0.0039                 0.0006
 Beta2  Fr= 1--      0.0817                 0.8131                 0.3023
 AlphaG Fr= 1--      0.0000                 0.0009                -0.0011
 Gamma2 Fr= 1--      0.2736                -1.9737                 0.4255
 Delta2 Fr= 1--      0.2855                -0.3621                 0.1080
 Raman1 Fr= 1--       3.199                 23.468                  8.565
 ROA1   Fr= 1--      35.403               -201.065                 44.304
 CID1   Fr= 1--      11.066                 -8.568                  5.173
 Raman2 Fr= 1--       0.981                  9.757                  3.628
 ROA2   Fr= 1--       4.282                -44.472                  9.348
 CID2   Fr= 1--       4.367                 -4.558                  2.577
 Raman3 Fr= 1--       1.961                 19.513                  7.256
 ROA3   Fr= 1--      35.403               -201.065                 44.304
 CID3   Fr= 1--      18.053                -10.304                  6.106
 RC180  Fr= 1--       0.226                  0.663                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.07   0.01  -0.12    -0.12   0.04  -0.02
     2   6     0.04  -0.00  -0.02    -0.15   0.03  -0.05     0.04   0.02  -0.09
     3   6    -0.03  -0.00   0.02     0.17  -0.07   0.10     0.04   0.00  -0.02
     4   6    -0.00   0.01  -0.02    -0.04   0.04  -0.02    -0.00   0.00   0.01
     5   8     0.00   0.00   0.00    -0.01  -0.03  -0.00    -0.01  -0.01  -0.00
     6   6     0.06   0.06  -0.00    -0.06   0.02   0.06     0.07  -0.05   0.09
     7   7    -0.00  -0.00   0.00    -0.02   0.01  -0.04     0.00  -0.00  -0.01
     8   8     0.01  -0.01  -0.01    -0.01   0.00   0.03    -0.01   0.01   0.01
     9   1    -0.07   0.01   0.02     0.30  -0.11   0.11     0.05  -0.00  -0.02
    10   1    -0.13  -0.05   0.32    -0.36   0.10  -0.07     0.12   0.05  -0.28
    11   1     0.00   0.03   0.02    -0.01  -0.08  -0.04    -0.01  -0.03  -0.02
    12   1    -0.00   0.06  -0.01     0.08  -0.25   0.08    -0.00  -0.09   0.01
    13   1     0.01  -0.04  -0.01    -0.01   0.03   0.15    -0.01   0.05   0.02
    14   1    -0.10  -0.06   0.46     0.07  -0.01   0.02    -0.14   0.08  -0.10
    15   1    -0.10  -0.15  -0.43     0.08  -0.01   0.33    -0.09   0.15  -0.14
    16   1    -0.14  -0.15   0.03     0.06   0.02  -0.18    -0.03   0.09   0.56
    17   1     0.32   0.17  -0.06     0.52   0.14  -0.15     0.23  -0.11  -0.03
    18   1    -0.34  -0.03   0.29    -0.07  -0.01   0.15     0.14  -0.09   0.08
    19   1     0.04   0.11   0.13    -0.01   0.07   0.15    -0.47  -0.17   0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1052.0243              1124.7188              1137.4624
 Red. masses --      1.7242                 2.3281                 2.8156
 Frc consts  --      1.1243                 1.7352                 2.1463
 IR Inten    --      8.3746                 6.7812               260.5224
 RamAct Fr= 1--      3.6149                 9.1494                 1.7380
  Dep-P Fr= 1--      0.4781                 0.5374                 0.7082
  Dep-U Fr= 1--      0.6469                 0.6991                 0.8292
 Alpha2 Fr= 1--      0.0197                 0.0375                 0.0013
 Beta2  Fr= 1--      0.3897                 1.0661                 0.2402
 AlphaG Fr= 1--      0.0083                -0.0128                -0.0066
 Gamma2 Fr= 1--      0.4296                 0.7459                 0.8752
 Delta2 Fr= 1--     -0.0140                 0.5264                -0.1132
 Raman1 Fr= 1--      14.460                 36.598                  6.952
 ROA1   Fr= 1--      40.794                 88.452                 80.398
 CID1   Fr= 1--       2.821                  2.417                 11.565
 Raman2 Fr= 1--       4.677                 12.793                  2.882
 ROA2   Fr= 1--      10.422                 13.691                 21.911
 CID2   Fr= 1--       2.228                  1.070                  7.602
 Raman3 Fr= 1--       9.354                 25.587                  5.764
 ROA3   Fr= 1--      40.794                 88.452                 80.398
 CID3   Fr= 1--       4.361                  3.457                 13.948
 RC180  Fr= 1--       0.294                  0.398                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.02     0.06   0.07  -0.08    -0.01  -0.06   0.02
     2   6     0.01   0.09   0.02    -0.12  -0.01   0.22     0.01   0.08  -0.05
     3   6     0.01   0.15   0.02    -0.05   0.02  -0.09    -0.00  -0.11  -0.02
     4   6     0.01  -0.00   0.02     0.01  -0.07   0.05    -0.14  -0.18  -0.04
     5   8    -0.01  -0.02  -0.01     0.00   0.04   0.01     0.03   0.18   0.13
     6   6     0.04  -0.06  -0.01     0.05  -0.07  -0.11     0.00  -0.02   0.03
     7   7    -0.02  -0.13  -0.04     0.03   0.02   0.02     0.01   0.06   0.03
     8   8    -0.01   0.01   0.01    -0.01   0.01  -0.01     0.05  -0.03  -0.06
     9   1     0.14   0.06   0.03     0.34  -0.21  -0.05     0.32   0.12  -0.05
    10   1    -0.45   0.30  -0.22    -0.20  -0.05   0.41     0.01   0.10  -0.15
    11   1    -0.01   0.00   0.00    -0.00  -0.08  -0.08    -0.01  -0.56  -0.45
    12   1     0.04  -0.12  -0.01    -0.05  -0.07   0.01     0.01   0.25  -0.02
    13   1     0.02  -0.29   0.00    -0.02   0.14  -0.04     0.04  -0.03  -0.07
    14   1    -0.10   0.06  -0.20    -0.15   0.05  -0.28    -0.03   0.02  -0.05
    15   1    -0.06   0.13  -0.11    -0.08   0.09  -0.29    -0.00   0.06   0.06
    16   1     0.01   0.10   0.33    -0.05   0.01   0.22     0.03   0.04   0.08
    17   1    -0.12   0.13   0.02     0.33  -0.01  -0.09    -0.08   0.09   0.01
    18   1    -0.27   0.05   0.04     0.25  -0.03   0.01    -0.22   0.02   0.04
    19   1     0.33   0.17  -0.14    -0.11  -0.03   0.12     0.16   0.08  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1168.6297              1199.7763              1239.8922
 Red. masses --      1.4293                 1.9225                 1.8982
 Frc consts  --      1.1500                 1.6305                 1.7194
 IR Inten    --      5.0577                 5.2905                21.6030
 RamAct Fr= 1--      3.8126                 2.2429                 3.6819
  Dep-P Fr= 1--      0.3860                 0.6451                 0.7491
  Dep-U Fr= 1--      0.5570                 0.7843                 0.8566
 Alpha2 Fr= 1--      0.0297                 0.0042                 0.0001
 Beta2  Fr= 1--      0.3540                 0.2932                 0.5256
 AlphaG Fr= 1--     -0.1055                -0.0009                -0.0018
 Gamma2 Fr= 1--     -0.6411                -0.9485                 0.7040
 Delta2 Fr= 1--      0.7911                -0.1265                 0.1992
 Raman1 Fr= 1--      15.251                  8.972                 14.727
 ROA1   Fr= 1--     -36.234                -95.107                 73.963
 CID1   Fr= 1--      -2.376                -10.601                  5.022
 Raman2 Fr= 1--       4.248                  3.518                  6.307
 ROA2   Fr= 1--     -21.717                -21.752                 15.303
 CID2   Fr= 1--      -5.113                 -6.183                  2.426
 Raman3 Fr= 1--       8.495                  7.036                 12.615
 ROA3   Fr= 1--     -36.234                -95.107                 73.963
 CID3   Fr= 1--      -4.265                -13.517                  5.863
 RC180  Fr= 1--       0.114                  0.569                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.02    -0.08  -0.07  -0.08    -0.02   0.03  -0.02
     2   6     0.03  -0.09   0.01     0.17   0.09   0.09     0.06  -0.06   0.03
     3   6     0.04   0.10  -0.01    -0.04  -0.00  -0.03    -0.01   0.18   0.09
     4   6     0.01  -0.04   0.03     0.01   0.01  -0.00    -0.04  -0.04  -0.02
     5   8    -0.01   0.01   0.01     0.00  -0.01  -0.01    -0.02   0.05   0.05
     6   6    -0.03   0.04  -0.00    -0.11  -0.07  -0.02    -0.04   0.02  -0.01
     7   7    -0.06  -0.06  -0.02    -0.00   0.00   0.02     0.04  -0.06  -0.07
     8   8    -0.02   0.01   0.01    -0.01   0.01   0.01     0.04  -0.03  -0.05
     9   1     0.51   0.48  -0.05    -0.00  -0.08  -0.02    -0.37  -0.05   0.12
    10   1     0.12  -0.12   0.05     0.27   0.05   0.13     0.03  -0.06   0.05
    11   1    -0.01  -0.10  -0.07     0.01   0.09   0.07    -0.04  -0.35  -0.27
    12   1     0.06   0.26  -0.05    -0.00   0.08  -0.00    -0.06  -0.58   0.02
    13   1     0.06  -0.44  -0.06     0.02  -0.07  -0.03    -0.07   0.35   0.12
    14   1     0.08  -0.04   0.13     0.16  -0.01  -0.40     0.10  -0.04   0.03
    15   1     0.04  -0.09   0.06     0.05   0.09   0.37     0.03  -0.06   0.08
    16   1    -0.01  -0.05  -0.20     0.18   0.15  -0.19     0.02   0.01  -0.13
    17   1     0.09  -0.07  -0.02     0.29   0.14  -0.10     0.07  -0.06  -0.02
    18   1     0.15  -0.04   0.01    -0.29  -0.09   0.31     0.07  -0.03   0.05
    19   1    -0.16  -0.05   0.07    -0.05   0.10   0.23    -0.12  -0.05   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.8007              1319.8077              1359.7613
 Red. masses --      1.3076                 1.4133                 1.4408
 Frc consts  --      1.2996                 1.4505                 1.5696
 IR Inten    --      0.4988                10.9367                11.6669
 RamAct Fr= 1--     10.6445                 7.3191                 3.7769
  Dep-P Fr= 1--      0.4013                 0.5001                 0.6016
  Dep-U Fr= 1--      0.5728                 0.6668                 0.7512
 Alpha2 Fr= 1--      0.0785                 0.0361                 0.0104
 Beta2  Fr= 1--      1.0162                 0.8134                 0.4729
 AlphaG Fr= 1--     -0.0035                 0.0472                 0.0368
 Gamma2 Fr= 1--     -0.1455                 0.5965                 0.2760
 Delta2 Fr= 1--     -0.5487                -1.1462                 0.3083
 Raman1 Fr= 1--      42.578                 29.276                 15.108
 ROA1   Fr= 1--     -31.526                 20.582                 36.362
 CID1   Fr= 1--      -0.740                  0.703                  2.407
 Raman2 Fr= 1--      12.194                  9.760                  5.675
 ROA2   Fr= 1--       0.898                 23.485                  4.158
 CID2   Fr= 1--       0.074                  2.406                  0.733
 Raman3 Fr= 1--      24.388                 19.521                 11.349
 ROA3   Fr= 1--     -31.526                 20.582                 36.362
 CID3   Fr= 1--      -1.293                  1.054                  3.204
 RC180  Fr= 1--       0.146                  0.334                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.01  -0.02   0.01     0.01  -0.07  -0.01
     2   6     0.02  -0.03  -0.01    -0.06   0.05  -0.04    -0.12   0.04   0.02
     3   6    -0.10   0.04   0.01     0.01   0.00   0.05     0.00   0.04   0.02
     4   6    -0.03  -0.08   0.00    -0.08  -0.10  -0.02     0.07   0.08   0.02
     5   8     0.03   0.01  -0.02     0.04   0.01  -0.02    -0.04  -0.02   0.01
     6   6    -0.01   0.05   0.00     0.01  -0.04  -0.00     0.03   0.00  -0.01
     7   7     0.03   0.01  -0.00     0.02  -0.02  -0.05    -0.01  -0.01  -0.00
     8   8    -0.01   0.02   0.02    -0.00   0.03   0.02    -0.00  -0.02  -0.02
     9   1     0.57  -0.41   0.07     0.04   0.53  -0.01     0.07  -0.08   0.04
    10   1     0.13   0.06  -0.44     0.35  -0.20   0.38     0.81  -0.18  -0.20
    11   1     0.04   0.30   0.21     0.06   0.38   0.28    -0.04  -0.26  -0.19
    12   1    -0.05  -0.19   0.01    -0.01  -0.22  -0.01     0.00  -0.02   0.00
    13   1    -0.02   0.18   0.00    -0.03   0.20   0.09    -0.00  -0.03   0.00
    14   1     0.05  -0.03   0.18    -0.07   0.01  -0.09    -0.10   0.03   0.03
    15   1     0.04  -0.09   0.02    -0.02   0.10   0.02    -0.01   0.04  -0.06
    16   1    -0.05  -0.03  -0.07     0.02   0.03   0.11    -0.05  -0.04   0.06
    17   1     0.02   0.00  -0.01    -0.04   0.06   0.00     0.06   0.16  -0.03
    18   1    -0.06  -0.01   0.02    -0.07   0.02  -0.03    -0.12  -0.01  -0.01
    19   1     0.03   0.01  -0.02     0.04   0.00  -0.02     0.16   0.09  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1383.7294              1406.7049              1426.9729
 Red. masses --      1.4250                 1.2556                 1.3023
 Frc consts  --      1.6075                 1.4639                 1.5624
 IR Inten    --     10.3827                 7.6586                 2.5922
 RamAct Fr= 1--      1.9054                 0.1307                 0.4906
  Dep-P Fr= 1--      0.7455                 0.6999                 0.6068
  Dep-U Fr= 1--      0.8542                 0.8235                 0.7553
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0013
 Beta2  Fr= 1--      0.2713                 0.0179                 0.0618
 AlphaG Fr= 1--      0.0011                -0.0015                 0.0117
 Gamma2 Fr= 1--     -0.7888                 0.0803                -0.0357
 Delta2 Fr= 1--     -0.0548                 0.0354                 0.0302
 Raman1 Fr= 1--       7.621                  0.523                  1.962
 ROA1   Fr= 1--     -77.474                  8.846                 -2.465
 CID1   Fr= 1--     -10.165                 16.915                 -1.256
 Raman2 Fr= 1--       3.255                  0.215                  0.741
 ROA2   Fr= 1--     -18.492                  1.645                 -1.099
 CID2   Fr= 1--      -5.681                  7.638                 -1.483
 Raman3 Fr= 1--       6.510                  0.431                  1.482
 ROA3   Fr= 1--     -77.474                  8.846                 -2.465
 CID3   Fr= 1--     -11.900                 20.541                 -1.663
 RC180  Fr= 1--       0.708                  0.647                  0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04    -0.10  -0.02   0.06    -0.07  -0.01   0.02
     2   6     0.02   0.03  -0.15     0.01   0.00  -0.04    -0.01  -0.01   0.03
     3   6    -0.05   0.04   0.02     0.01   0.02   0.01     0.06   0.02  -0.02
     4   6     0.05   0.04   0.02    -0.01  -0.01  -0.00    -0.04  -0.03  -0.02
     5   8    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.02  -0.04  -0.01     0.00  -0.01   0.08    -0.01  -0.00  -0.11
     7   7     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00   0.01
     8   8    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.01
     9   1     0.39  -0.39   0.08     0.02  -0.13   0.02    -0.22  -0.12  -0.01
    10   1    -0.05  -0.18   0.64    -0.00  -0.04   0.12     0.05  -0.00  -0.05
    11   1    -0.03  -0.14  -0.11     0.00   0.02   0.01     0.01   0.08   0.06
    12   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.01   0.10  -0.00
    13   1    -0.00  -0.01  -0.02     0.00  -0.02  -0.02     0.01  -0.09  -0.04
    14   1     0.04  -0.08   0.08     0.02   0.11  -0.30     0.02  -0.19   0.44
    15   1     0.05   0.09   0.22    -0.15  -0.02  -0.25     0.20   0.06   0.37
    16   1     0.06   0.14   0.20     0.08  -0.08  -0.27    -0.07   0.18   0.41
    17   1    -0.11  -0.02   0.04     0.46   0.09   0.01     0.29   0.05  -0.01
    18   1    -0.05   0.07  -0.10     0.37  -0.08  -0.29     0.26  -0.09  -0.12
    19   1    -0.05  -0.09  -0.08     0.29   0.20  -0.31     0.19   0.17  -0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1438.1467              1487.0332              1497.5999
 Red. masses --      1.6555                 1.0428                 1.0518
 Frc consts  --      2.0174                 1.3587                 1.3899
 IR Inten    --     22.4839                 0.7311                 1.9572
 RamAct Fr= 1--      1.9956                 8.1010                 0.7409
  Dep-P Fr= 1--      0.6741                 0.7500                 0.7485
  Dep-U Fr= 1--      0.8053                 0.8571                 0.8562
 Alpha2 Fr= 1--      0.0027                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2678                 1.1573                 0.1057
 AlphaG Fr= 1--      0.0163                -0.0007                 0.0005
 Gamma2 Fr= 1--     -1.0556                 0.6977                -0.1213
 Delta2 Fr= 1--      0.7707                -0.1590                -0.0300
 Raman1 Fr= 1--       7.982                 32.404                  2.964
 ROA1   Fr= 1--     -76.677                 61.895                -12.601
 CID1   Fr= 1--      -9.606                  1.910                 -4.252
 Raman2 Fr= 1--       3.214                 13.887                  1.269
 ROA2   Fr= 1--     -31.500                 18.017                 -2.670
 CID2   Fr= 1--      -9.800                  1.297                 -2.105
 Raman3 Fr= 1--       6.428                 27.774                  2.537
 ROA3   Fr= 1--     -76.677                 61.895                -12.601
 CID3   Fr= 1--     -11.928                  2.229                 -4.966
 RC180  Fr= 1--       0.611                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.02     0.01  -0.04   0.01     0.02   0.00   0.02
     2   6     0.04   0.01   0.02     0.00  -0.00  -0.00    -0.02  -0.01   0.03
     3   6    -0.13  -0.11   0.03     0.00   0.00  -0.00     0.01   0.00  -0.01
     4   6     0.09   0.09   0.04    -0.01  -0.00   0.00    -0.00  -0.01  -0.00
     5   8    -0.03  -0.02   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.01  -0.04    -0.01   0.03  -0.00    -0.04  -0.01   0.00
     7   7     0.04   0.00  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.02  -0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.30   0.62  -0.04    -0.01  -0.01  -0.00    -0.05   0.02  -0.01
    10   1    -0.20   0.13  -0.13    -0.03  -0.00   0.04     0.04   0.01  -0.09
    11   1    -0.03  -0.16  -0.12     0.00   0.01   0.01     0.00   0.01   0.01
    12   1    -0.03  -0.21  -0.01     0.00   0.02  -0.00     0.03   0.05  -0.00
    13   1    -0.05   0.33   0.10    -0.00  -0.00  -0.00    -0.00  -0.00   0.02
    14   1     0.07  -0.07   0.12     0.26   0.01  -0.20     0.40  -0.18   0.15
    15   1     0.07  -0.03   0.12     0.11  -0.43  -0.00    -0.18   0.06  -0.30
    16   1    -0.03   0.07   0.15    -0.19  -0.06   0.21     0.35   0.40   0.03
    17   1     0.21   0.03   0.00    -0.10   0.55  -0.02     0.20   0.07   0.00
    18   1     0.12  -0.03  -0.10     0.07   0.07  -0.39    -0.28   0.18  -0.24
    19   1     0.12   0.07  -0.13    -0.12   0.01   0.34    -0.17  -0.28  -0.18
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.4797              1511.2743              1639.1403
 Red. masses --      1.0438                 1.0547                 1.1061
 Frc consts  --      1.3976                 1.4193                 1.7510
 IR Inten    --     13.5017                 5.3070                59.5376
 RamAct Fr= 1--      2.1713                 5.2506                 2.0771
  Dep-P Fr= 1--      0.7188                 0.7365                 0.7444
  Dep-U Fr= 1--      0.8364                 0.8482                 0.8535
 Alpha2 Fr= 1--      0.0012                 0.0012                 0.0002
 Beta2  Fr= 1--      0.3027                 0.7423                 0.2955
 AlphaG Fr= 1--     -0.0042                 0.0038                -0.0013
 Gamma2 Fr= 1--     -0.3088                 0.1366                -1.0601
 Delta2 Fr= 1--     -0.0330                 0.1922                -0.4903
 Raman1 Fr= 1--       8.685                 21.003                  8.308
 ROA1   Fr= 1--     -30.699                 19.268               -117.462
 CID1   Fr= 1--      -3.535                  0.917                -14.138
 Raman2 Fr= 1--       3.632                  8.908                  3.546
 ROA2   Fr= 1--      -7.147                  1.742                -21.521
 CID2   Fr= 1--      -1.968                  0.196                 -6.070
 Raman3 Fr= 1--       7.265                 17.815                  7.091
 ROA3   Fr= 1--     -30.699                 19.268               -117.462
 CID3   Fr= 1--      -4.226                  1.082                -16.565
 RC180  Fr= 1--       0.673                  0.696                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.02    -0.01   0.01  -0.03    -0.00   0.00  -0.00
     2   6     0.01  -0.03  -0.01    -0.03   0.01  -0.02     0.00  -0.00   0.00
     3   6    -0.01  -0.00   0.00     0.00  -0.01   0.00    -0.01   0.01  -0.02
     4   6     0.01   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.03   0.00    -0.03   0.01   0.02     0.00   0.00   0.00
     7   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.02
     9   1     0.03   0.01  -0.00     0.03  -0.00   0.00     0.01  -0.09  -0.01
    10   1    -0.07  -0.00  -0.03     0.04  -0.03   0.03     0.00  -0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.02   0.01
    12   1    -0.01  -0.02  -0.00    -0.02  -0.01  -0.01     0.55   0.45   0.10
    13   1    -0.01   0.03  -0.00    -0.00   0.01  -0.01    -0.11   0.38   0.55
    14   1    -0.17  -0.05   0.26     0.45  -0.12  -0.04    -0.01   0.01  -0.01
    15   1    -0.15   0.47  -0.07    -0.08  -0.24  -0.25     0.00  -0.01   0.00
    16   1     0.28   0.15  -0.24     0.14   0.25   0.17    -0.01  -0.02  -0.01
    17   1    -0.23   0.37  -0.01    -0.25  -0.21   0.00    -0.01  -0.01  -0.00
    18   1     0.25  -0.07  -0.14     0.27  -0.21   0.37     0.03  -0.02   0.02
    19   1     0.02   0.19   0.41     0.23   0.31   0.14     0.02   0.02   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1811.5255              3024.6683              3028.2226
 Red. masses --      8.6278                 1.0488                 1.0685
 Frc consts  --     16.6816                 5.6532                 5.7728
 IR Inten    --    261.2511                14.6575                22.7514
 RamAct Fr= 1--     17.0626               111.8642                63.4844
  Dep-P Fr= 1--      0.1754                 0.0646                 0.4211
  Dep-U Fr= 1--      0.2985                 0.1213                 0.5926
 Alpha2 Fr= 1--      0.2471                 2.1341                 0.4354
 Beta2  Fr= 1--      0.8489                 2.2612                 6.2703
 AlphaG Fr= 1--     -0.0342                 0.0536                -0.2056
 Gamma2 Fr= 1--     -0.1368                 6.3402                 8.8547
 Delta2 Fr= 1--      0.4121                 4.7793                 9.8716
 Raman1 Fr= 1--      68.250                447.457                253.938
 ROA1   Fr= 1--       0.059                761.595               1165.946
 CID1   Fr= 1--       0.001                  1.702                  4.591
 Raman2 Fr= 1--      10.186                 27.135                 75.244
 ROA2   Fr= 1--      -6.580                113.931                133.541
 CID2   Fr= 1--      -0.646                  4.199                  1.775
 Raman3 Fr= 1--      20.373                 54.270                150.488
 ROA3   Fr= 1--       0.059                761.595               1165.946
 CID3   Fr= 1--       0.003                 14.033                  7.748
 RC180  Fr= 1--      -0.403                 -0.757                  0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.02   0.01     0.02   0.00  -0.01
     2   6     0.01  -0.01   0.00     0.01   0.03   0.01     0.01   0.04   0.01
     3   6     0.05   0.01  -0.03     0.00  -0.00  -0.03     0.00  -0.01  -0.05
     4   6    -0.40   0.25   0.48     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.01
     7   7    -0.00   0.02   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8     0.23  -0.18  -0.30    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.18   0.04  -0.02    -0.01   0.04   0.34    -0.01   0.08   0.65
    10   1     0.01  -0.01  -0.00    -0.10  -0.33  -0.10    -0.14  -0.46  -0.14
    11   1     0.04   0.35   0.26     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.21  -0.13  -0.04     0.00   0.00  -0.01     0.00   0.00  -0.01
    13   1     0.04  -0.19  -0.19    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.01  -0.03  -0.01     0.06   0.22   0.07
    15   1    -0.02   0.04  -0.01     0.06   0.01  -0.02    -0.10  -0.03   0.04
    16   1     0.03   0.01  -0.04    -0.06   0.05  -0.02     0.08  -0.09   0.04
    17   1     0.00   0.01  -0.00    -0.03  -0.03  -0.45     0.02   0.01   0.28
    18   1    -0.01   0.01  -0.00     0.20   0.57   0.17    -0.09  -0.25  -0.07
    19   1    -0.02  -0.01   0.01     0.24  -0.26   0.12    -0.18   0.19  -0.09
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3034.6402              3036.6854              3083.0582
 Red. masses --      1.0833                 1.0376                 1.0995
 Frc consts  --      5.8776                 5.6374                 6.1577
 IR Inten    --     18.3501                18.2707                22.4982
 RamAct Fr= 1--    154.9317               203.9954                41.2057
  Dep-P Fr= 1--      0.1374                 0.0166                 0.3932
  Dep-U Fr= 1--      0.2417                 0.0327                 0.5644
 Alpha2 Fr= 1--      2.4722                 4.3601                 0.3127
 Beta2  Fr= 1--      6.2406                 1.1132                 3.8762
 AlphaG Fr= 1--     -0.1673                -0.2323                -0.0429
 Gamma2 Fr= 1--    -19.7196                 0.6286                 0.0288
 Delta2 Fr= 1--    -22.0583                 0.4275                 1.7707
 Raman1 Fr= 1--     619.727                815.982                164.823
 ROA1   Fr= 1--   -2598.950                 74.027                 59.433
 CID1   Fr= 1--      -4.194                  0.091                  0.361
 Raman2 Fr= 1--      74.887                 13.358                 46.514
 ROA2   Fr= 1--    -296.804                 11.666                -13.474
 CID2   Fr= 1--      -3.963                  0.873                 -0.290
 Raman3 Fr= 1--     149.774                 26.716                 93.028
 ROA3   Fr= 1--   -2598.950                 74.027                 59.433
 CID3   Fr= 1--     -17.353                  2.771                  0.639
 RC180  Fr= 1--      -0.517                 -0.935                  0.129
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.01  -0.00   0.01     0.00  -0.08  -0.04
     2   6    -0.02  -0.05  -0.02    -0.01  -0.02  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.01  -0.05     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.01  -0.05    -0.00   0.03  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01   0.07   0.65     0.00  -0.01  -0.07     0.00   0.00   0.04
    10   1     0.20   0.66   0.19     0.06   0.19   0.05     0.04   0.14   0.04
    11   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.05  -0.16  -0.05     0.16   0.54   0.17    -0.06  -0.19  -0.06
    15   1     0.02   0.01  -0.01    -0.45  -0.12   0.21    -0.06  -0.01   0.03
    16   1    -0.01   0.01  -0.01     0.37  -0.36   0.17     0.13  -0.12   0.06
    17   1    -0.01  -0.00  -0.12    -0.01  -0.01  -0.15     0.03   0.00   0.47
    18   1    -0.03  -0.09  -0.02     0.04   0.12   0.03     0.23   0.61   0.17
    19   1     0.06  -0.06   0.03     0.08  -0.08   0.04    -0.31   0.29  -0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2549              3096.8361              3103.1467
 Red. masses --      1.1014                 1.1008                 1.1018
 Frc consts  --      6.2131                 6.2202                 6.2509
 IR Inten    --     25.6173                42.6576                25.2564
 RamAct Fr= 1--     39.0222               116.6959                61.9339
  Dep-P Fr= 1--      0.5787                 0.6062                 0.7468
  Dep-U Fr= 1--      0.7332                 0.7548                 0.8550
 Alpha2 Fr= 1--      0.1254                 0.3095                 0.0034
 Beta2  Fr= 1--      4.7683                14.6809                 8.8259
 AlphaG Fr= 1--     -0.0360                -0.1862                -0.0376
 Gamma2 Fr= 1--    -10.1071                19.5324                -9.4083
 Delta2 Fr= 1--    -11.2396                14.8646                -2.5925
 Raman1 Fr= 1--     156.089                466.784                247.736
 ROA1   Fr= 1--   -1329.947               2350.774               -986.159
 CID1   Fr= 1--      -8.520                  5.036                 -3.981
 Raman2 Fr= 1--      57.219                176.171                105.910
 ROA2   Fr= 1--    -152.653                349.860               -205.059
 CID2   Fr= 1--      -2.668                  1.986                 -1.936
 Raman3 Fr= 1--     114.439                352.342                211.820
 ROA3   Fr= 1--   -1329.947               2350.774               -986.159
 CID3   Fr= 1--     -11.621                  6.672                 -4.656
 RC180  Fr= 1--       0.466                  0.510                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05     0.04  -0.04   0.05    -0.00   0.00  -0.01
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.01  -0.07   0.00    -0.00  -0.05   0.00    -0.09  -0.01   0.01
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.03    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.04   0.13   0.04     0.03   0.11   0.03     0.01   0.04   0.01
    11   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.15   0.47   0.16     0.12   0.39   0.13     0.05   0.23   0.08
    15   1     0.07   0.00  -0.03     0.15   0.03  -0.07     0.73   0.19  -0.35
    16   1    -0.37   0.34  -0.17    -0.26   0.23  -0.12     0.32  -0.32   0.16
    17   1     0.02   0.03   0.50    -0.02  -0.03  -0.44     0.00   0.00   0.06
    18   1     0.05   0.15   0.03     0.04   0.08   0.04     0.01   0.02   0.00
    19   1     0.24  -0.25   0.10    -0.44   0.44  -0.20     0.05  -0.05   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.5648              3597.2549              3726.9170
 Red. masses --      1.0482                 1.0939                 1.0640
 Frc consts  --      7.6069                 8.3401                 8.7078
 IR Inten    --      5.3770                 8.9865                67.6812
 RamAct Fr= 1--     95.0777                27.6963               147.5739
  Dep-P Fr= 1--      0.0550                 0.6663                 0.2324
  Dep-U Fr= 1--      0.1043                 0.7997                 0.3772
 Alpha2 Fr= 1--      1.8558                 0.0412                 1.8363
 Beta2  Fr= 1--      1.6526                 3.6917                 9.2772
 AlphaG Fr= 1--     -0.7343                -0.0223                -0.0186
 Gamma2 Fr= 1--     -2.1698                -3.1838                -2.9936
 Delta2 Fr= 1--     -0.0497                 0.9651                -0.1399
 Raman1 Fr= 1--     380.311                110.785                590.296
 ROA1   Fr= 1--    -209.887               -274.765               -291.864
 CID1   Fr= 1--      -0.552                 -2.480                 -0.494
 Raman2 Fr= 1--      19.832                 44.300                111.326
 ROA2   Fr= 1--     -51.677                -84.133                -70.727
 CID2   Fr= 1--      -2.606                 -1.899                 -0.635
 Raman3 Fr= 1--      39.664                 88.600                222.652
 ROA3   Fr= 1--    -209.887               -274.765               -291.864
 CID3   Fr= 1--      -5.292                 -3.101                 -1.311
 RC180  Fr= 1--      -0.791                  0.599                 -0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   7    -0.02  -0.03  -0.04    -0.07  -0.01   0.04    -0.00   0.00  -0.00
     8   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.88   0.27  -0.39
    12   1    -0.32   0.18   0.69     0.22  -0.14  -0.56    -0.00  -0.00   0.00
    13   1     0.59   0.18  -0.05     0.75   0.22  -0.04     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   613.791301254.597031341.77734
           X            0.99999   0.00236   0.00262
           Y           -0.00222   0.99879  -0.04914
           Z           -0.00274   0.04914   0.99879
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14111     0.06904     0.06455
 Rotational constants (GHZ):           2.94032     1.43850     1.34504
 Zero-point vibrational energy     431031.1 (Joules/Mol)
                                  103.01890 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     80.52   121.30   254.70   311.00   318.98
          (Kelvin)            354.66   399.56   426.06   497.49   572.39
                              643.94   833.79   856.71   952.26  1026.28
                             1153.35  1236.70  1251.09  1349.82  1378.16
                             1400.67  1513.63  1618.22  1636.55  1681.40
                             1726.21  1783.93  1868.68  1898.91  1956.39
                             1990.88  2023.93  2053.10  2069.17  2139.51
                             2154.71  2168.93  2174.39  2358.36  2606.38
                             4351.82  4356.94  4366.17  4369.11  4435.83
                             4451.94  4455.66  4464.74  5049.48  5175.65
                             5362.20
 
 Zero-point correction=                           0.164171 (Hartree/Particle)
 Thermal correction to Energy=                    0.173670
 Thermal correction to Enthalpy=                  0.174614
 Thermal correction to Gibbs Free Energy=         0.129974
 Sum of electronic and zero-point Energies=           -402.405553
 Sum of electronic and thermal Energies=              -402.396054
 Sum of electronic and thermal Enthalpies=            -402.395110
 Sum of electronic and thermal Free Energies=         -402.439750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.979             34.465             93.953
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.426
 Vibrational            107.202             28.503             25.339
 Vibration     1          0.596              1.975              4.595
 Vibration     2          0.601              1.960              3.788
 Vibration     3          0.628              1.871              2.360
 Vibration     4          0.645              1.816              1.991
 Vibration     5          0.648              1.808              1.945
 Vibration     6          0.661              1.769              1.755
 Vibration     7          0.679              1.715              1.548
 Vibration     8          0.690              1.681              1.439
 Vibration     9          0.724              1.584              1.185
 Vibration    10          0.764              1.475              0.971
 Vibration    11          0.807              1.366              0.803
 Vibration    12          0.936              1.076              0.486
 Vibration    13          0.953              1.041              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.164498D-59        -59.783840       -137.657378
 Total V=0       0.536470D+16         15.729545         36.218616
 Vib (Bot)       0.907904D-73        -73.041960       -168.185329
 Vib (Bot)    1  0.369148D+01          0.567200          1.306027
 Vib (Bot)    2  0.244115D+01          0.387595          0.892471
 Vib (Bot)    3  0.113575D+01          0.055284          0.127297
 Vib (Bot)    4  0.916549D+00         -0.037844         -0.087140
 Vib (Bot)    5  0.891556D+00         -0.049851         -0.114787
 Vib (Bot)    6  0.793079D+00         -0.100684         -0.231833
 Vib (Bot)    7  0.693143D+00         -0.159177         -0.366519
 Vib (Bot)    8  0.643603D+00         -0.191382         -0.440673
 Vib (Bot)    9  0.535048D+00         -0.271607         -0.625398
 Vib (Bot)   10  0.448731D+00         -0.348014         -0.801332
 Vib (Bot)   11  0.383914D+00         -0.415766         -0.957335
 Vib (Bot)   12  0.263075D+00         -0.579920         -1.335315
 Vib (Bot)   13  0.251943D+00         -0.598697         -1.378552
 Vib (V=0)       0.296091D+03          2.471425          5.690665
 Vib (V=0)    1  0.422519D+01          0.625846          1.441064
 Vib (V=0)    2  0.299183D+01          0.475937          1.095886
 Vib (V=0)    3  0.174094D+01          0.240784          0.554427
 Vib (V=0)    4  0.154406D+01          0.188664          0.434416
 Vib (V=0)    5  0.152219D+01          0.182469          0.420150
 Vib (V=0)    6  0.143754D+01          0.157619          0.362930
 Vib (V=0)    7  0.135466D+01          0.131831          0.303552
 Vib (V=0)    8  0.131500D+01          0.118926          0.273837
 Vib (V=0)    9  0.123231D+01          0.090720          0.208890
 Vib (V=0)   10  0.117183D+01          0.068866          0.158569
 Vib (V=0)   11  0.113039D+01          0.053228          0.122562
 Vib (V=0)   12  0.106499D+01          0.027344          0.062961
 Vib (V=0)   13  0.105989D+01          0.025260          0.058164
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.363872D+06          5.560948         12.804557
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1     111111111111 11111  1                                   
     7    5  5        10000000                                         8     655444443332 22111  0 99988 8  7 6 55   4 33222221      
     2    9  1        09983322                                         1     310983208629 40632  5 75376 0  1 6 98   4 94974217   85 
     7    7  0        37437585                                         2     917878774009 00975  2 48800 2  3 2 50   8 86686267   46 
 
     X    X  X        XXXXXXXX                                         X     XXXXXXXXXXXX XXXXX  X XXXXX X  X X XX   X XXXXXXXX   XX 
     X                XXXX  X                                          X     X    X       X  X         X X  X X XX                   
     X                 X                                               X     X               X         X X       X                   
     X                                                                 X     X               X         X X       X                   
     X                                                                 X     X               X           X       X                   
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010902    0.000003247    0.000002748
      2        6          -0.000001761    0.000003346   -0.000018613
      3        6           0.000025816   -0.000035831   -0.000001968
      4        6          -0.000006568    0.000030933    0.000028732
      5        8           0.000003535   -0.000024682   -0.000013830
      6        6           0.000004683    0.000009912    0.000000725
      7        7          -0.000012633    0.000005944    0.000007436
      8        8           0.000011734   -0.000001518   -0.000012042
      9        1          -0.000010085    0.000001010   -0.000007752
     10        1           0.000001913    0.000001058   -0.000003017
     11        1          -0.000000502    0.000003243   -0.000002535
     12        1           0.000001190    0.000007078    0.000007434
     13        1           0.000002658   -0.000001507    0.000002639
     14        1           0.000001806   -0.000001639    0.000004452
     15        1          -0.000002569   -0.000001573    0.000001601
     16        1          -0.000001941   -0.000002012    0.000005113
     17        1          -0.000000577    0.000000462   -0.000001362
     18        1          -0.000001047    0.000001892   -0.000000938
     19        1          -0.000004750    0.000000640    0.000001175
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035831 RMS     0.000010402
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.904416D+02  0.368679D+00 -0.253512D+01
      2   0.368679D+00  0.791098D+02  0.201741D+01
      3  -0.253512D+01  0.201741D+01  0.766845D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.278177D+01  0.103353D+01 -0.121316D+01
      2   0.676680D+01 -0.719695D+01  0.313675D+02
      3   0.849046D+01 -0.258512D+02  0.871055D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.736212D+02 -0.269772D+02  0.170904D+01
      2  -0.420058D+02  0.270818D+02 -0.922918D+01
      3  -0.316154D+02 -0.104583D+00  0.752014D+01
      4  -0.290211D+02  0.449386D+02 -0.186299D+02
      5   0.927290D+01 -0.214754D+02  0.634126D+02
      6  -0.474252D+01  0.329295D+00 -0.711015D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.148099D+00  0.241523D+01 -0.355857D+01  0.435403D+01 -0.468117D+01
      2   0.241523D+01 -0.397022D+01  0.118397D+00 -0.468117D+01 -0.252606D+01
      3  -0.355857D+01  0.118397D+00  0.126459D+01 -0.825934D-01 -0.201467D+01
                 6             7             8             9            10 
      1  -0.825934D-01 -0.523180D+01  0.544386D+00 -0.247366D+00  0.218011D+01
      2  -0.201467D+01  0.544386D+00 -0.247844D+01  0.336260D+00 -0.279242D+01
      3   0.471512D+00 -0.247366D+00  0.336260D+00  0.755919D+01  0.445637D+01
                11            12            13            14            15 
      1  -0.279242D+01  0.445637D+01 -0.709416D+01  0.442711D+01  0.277925D+00
      2   0.423654D+01  0.395681D+00  0.442711D+01  0.464840D+01  0.301053D+01
      3   0.395681D+00 -0.330415D+00  0.277925D+00  0.301053D+01  0.382093D-01
                16            17            18            19            20 
      1   0.747841D+01 -0.246996D+00  0.293803D-01 -0.447007D+01  0.469854D+01
      2  -0.246996D+00  0.349472D+01  0.353637D+00  0.469854D+01 -0.238647D+01
      3   0.293803D-01  0.353637D+00 -0.549740D+01 -0.121488D+01  0.646340D+00
                21            22            23            24            25 
      1  -0.121488D+01  0.801559D+01 -0.108776D+01 -0.405548D+00 -0.380177D+01
      2   0.646340D+00 -0.108776D+01 -0.391753D+00 -0.268230D-01  0.649295D+00
      3  -0.574759D+00 -0.405548D+00 -0.268230D-01  0.220707D+01 -0.667838D+00
                26            27            28            29            30 
      1   0.649295D+00 -0.667838D+00  0.782880D+00 -0.299902D+01 -0.986079D+00
      2  -0.283258D+01  0.243966D+01 -0.299902D+01 -0.501234D-01  0.185028D+01
      3   0.243966D+01  0.683735D+01 -0.986079D+00  0.185028D+01  0.316340D+00
                31            32            33            34            35 
      1  -0.476493D+01 -0.596587D+00  0.225561D+01 -0.519626D+01  0.167363D+01
      2  -0.596587D+00 -0.775426D+00  0.806493D+00  0.167363D+01 -0.312146D+00
      3   0.225561D+01  0.806493D+00 -0.148324D+01  0.201162D+01 -0.895638D+00
                36            37            38            39            40 
      1   0.201162D+01  0.553638D+01  0.221404D+01 -0.174805D+01  0.782563D+00
      2  -0.895638D+00  0.221404D+01  0.233816D+01 -0.860306D+00  0.453750D+00
      3  -0.308295D+01 -0.174805D+01 -0.860306D+00  0.375497D+00 -0.109180D+01
                41            42            43            44            45 
      1   0.453750D+00 -0.109180D+01 -0.374496D+01 -0.197765D+01 -0.122103D+01
      2  -0.282684D+01 -0.180460D+01 -0.197765D+01 -0.225246D+01 -0.160580D+01
      3  -0.180460D+01 -0.654603D+00 -0.122103D+01 -0.160580D+01 -0.275061D+01
                46            47            48            49            50 
      1   0.124918D+01  0.322684D+01 -0.478410D+01  0.335345D+01 -0.344027D+01
      2   0.322684D+01 -0.319938D+01  0.151419D+00 -0.344027D+01 -0.247460D+01
      3  -0.478410D+01  0.151419D+00  0.926435D+00  0.387978D-01 -0.336924D+01
                51            52            53            54            55 
      1   0.387978D-01 -0.370449D+01 -0.754676D-01  0.385385D+00 -0.371424D+01
      2  -0.336924D+01 -0.754676D-01 -0.252311D+01 -0.158941D+00 -0.844129D+00
      3   0.332066D+00  0.385385D+00 -0.158941D+00  0.366095D+01 -0.693339D-02
                56            57            58            59            60 
      1  -0.844129D+00 -0.693339D-02 -0.244675D+01 -0.682544D+00  0.100573D+00
      2   0.391159D+00 -0.316501D+00 -0.682544D+00  0.387666D+01 -0.191655D+01
      3  -0.316501D+00  0.162762D+01  0.100573D+00 -0.191655D+01 -0.183633D+01
                61            62            63            64            65 
      1  -0.179244D-01 -0.952553D+00  0.799315D+00 -0.628802D+01  0.255018D+01
      2  -0.952553D+00 -0.231882D+00 -0.608864D+00  0.255018D+01 -0.163441D+01
      3   0.799315D+00 -0.608864D+00 -0.373623D+01  0.294898D+01 -0.146453D+01
                66            67            68            69            70 
      1   0.294898D+01  0.486800D+01 -0.194495D+01 -0.134707D+01  0.675400D+01
      2  -0.146453D+01 -0.194495D+01  0.403496D+01  0.173809D+01 -0.928713D+00
      3  -0.184655D+01 -0.134707D+01  0.173809D+01  0.183083D+01 -0.320614D+01
                71            72            73            74            75 
      1  -0.928713D+00 -0.320614D+01  0.696139D+00 -0.789421D+00 -0.108336D+01
      2   0.246369D+01  0.208355D+01 -0.789421D+00  0.507255D+00  0.314877D-02
      3   0.208355D+01  0.622772D+01 -0.108336D+01  0.314877D-02  0.354005D+00
                76            77            78            79            80 
      1  -0.127247D+01  0.222204D+00  0.108661D+00 -0.125697D+01 -0.880024D-01
      2   0.222204D+00 -0.132746D+00 -0.132065D+01 -0.880024D-01 -0.169105D+01
      3   0.108661D+00 -0.132065D+01 -0.795612D+00  0.275531D+00 -0.975969D+00
                81            82            83            84            85 
      1   0.275531D+00 -0.132967D+01 -0.100974D+01 -0.103857D+01 -0.101654D+01
      2  -0.975969D+00 -0.100974D+01 -0.173971D+01 -0.167400D+00 -0.127802D+01
      3  -0.922955D+01 -0.103857D+01 -0.167400D+00 -0.490996D+00 -0.795320D-01
                86            87            88            89            90 
      1  -0.127802D+01 -0.795320D-01 -0.139316D+01 -0.139364D+00 -0.150370D+00
      2  -0.831619D+01 -0.166432D+01 -0.139364D+00 -0.198319D+01 -0.166462D+01
      3  -0.166432D+01 -0.163036D+01 -0.150370D+00 -0.166462D+01 -0.566679D+00
                91            92            93            94            95 
      1  -0.830727D+01 -0.412530D+01  0.169128D+00 -0.246885D+01 -0.214804D+01
      2  -0.412530D+01 -0.324723D+01 -0.551023D-01 -0.214804D+01 -0.259284D+01
      3   0.169128D+00 -0.551023D-01 -0.116420D+01  0.158199D+00 -0.384828D-01
                96            97            98            99           100 
      1   0.158199D+00  0.278229D+01  0.159656D+01 -0.108384D+01 -0.131730D+01
      2  -0.384828D-01  0.159656D+01  0.126031D+01 -0.643375D+00  0.140249D+00
      3  -0.633799D+00 -0.108384D+01 -0.643375D+00  0.317261D+00  0.551279D+00
               101           102           103           104           105 
      1   0.140249D+00  0.551279D+00  0.472344D+00 -0.340700D+00 -0.848738D-01
      2  -0.175877D+01 -0.313241D+00 -0.340700D+00  0.186027D+01  0.931312D+00
      3  -0.313241D+00 -0.203541D+01 -0.848738D-01  0.931312D+00  0.209483D+01
               106           107           108           109           110 
      1   0.166960D+01  0.180608D-01 -0.950158D+00  0.606112D+01  0.233697D+01
      2   0.180608D-01  0.238126D+01  0.195232D+01  0.233697D+01  0.274325D+01
      3  -0.950158D+00  0.195232D+01  0.413939D+01 -0.375879D+00  0.210724D+00
               111           112           113           114           115 
      1  -0.375879D+00  0.252577D+01  0.119699D+01  0.416860D+00 -0.105022D+01
      2   0.210724D+00  0.119699D+01  0.218143D+01 -0.301199D-01  0.341397D+00
      3   0.704702D+00  0.416860D+00 -0.301199D-01  0.813172D+00  0.266998D+00
               116           117           118           119           120 
      1   0.341397D+00  0.266998D+00  0.979527D+00  0.670455D+00  0.116010D+01
      2  -0.734846D+00  0.575768D+00  0.670455D+00  0.146513D+01  0.534489D+00
      3   0.575768D+00 -0.436943D+00  0.116010D+01  0.534489D+00  0.841313D+00
               121           122           123           124           125 
      1   0.127955D+01  0.126312D+01  0.960655D+00  0.818368D+00  0.387746D+00
      2   0.126312D+01  0.498246D+01  0.191306D+01  0.387746D+00  0.175237D+01
      3   0.960655D+00  0.191306D+01  0.305057D+01  0.473214D+00  0.141644D+01
               126           127           128           129           130 
      1   0.473214D+00 -0.503299D+01 -0.124329D+01  0.249198D+01 -0.127106D+01
      2   0.141644D+01 -0.124329D+01 -0.102666D+01  0.931247D+00 -0.554951D+00
      3   0.172494D+01  0.249198D+01  0.931247D+00 -0.342616D+01  0.532832D+00
               131           132           133           134           135 
      1  -0.554951D+00  0.532832D+00  0.199908D+01  0.521180D+00 -0.187477D+01
      2  -0.753782D+00  0.123684D+01  0.521180D+00  0.929554D+00 -0.727804D+00
      3   0.123684D+01 -0.105181D+01 -0.187477D+01 -0.727804D+00  0.269581D+01
               136           137           138           139           140 
      1   0.397213D+01 -0.259290D+01  0.261873D+01 -0.286566D+01  0.256543D+01
      2  -0.259290D+01  0.246993D+01 -0.143979D+01  0.256543D+01 -0.320132D+01
      3   0.261873D+01 -0.143979D+01  0.237549D+01 -0.151284D+01  0.234212D+01
               141           142           143           144           145 
      1  -0.151284D+01  0.142892D+01 -0.943408D+00  0.156320D+01  0.141996D+00
      2   0.234212D+01 -0.943408D+00  0.145307D+01 -0.151505D+01 -0.185678D+00
      3  -0.241526D+01  0.156320D+01 -0.151505D+01  0.192402D+01 -0.674323D+00
               146           147           148           149           150 
      1  -0.185678D+00 -0.674323D+00 -0.518589D+00  0.766595D+00  0.623992D-01
      2   0.208233D+00 -0.493271D-02  0.766595D+00 -0.437076D-01 -0.941301D+00
      3  -0.493271D-02 -0.166039D+00  0.623992D-01 -0.941301D+00 -0.425329D+00
               151           152           153           154           155 
      1  -0.192966D+01  0.141506D+00  0.198225D+01  0.227679D+01  0.149367D+01
      2   0.141506D+00 -0.108894D+01 -0.325798D+00  0.149367D+01  0.212382D+01
      3   0.198225D+01 -0.325798D+00 -0.981786D+01  0.395191D+00  0.100919D+00
               156           157           158           159           160 
      1   0.395191D+00  0.322287D+01  0.236857D+01 -0.155984D+00  0.154461D+01
      2   0.100919D+00  0.236857D+01  0.546160D+01  0.575370D+00  0.342477D+00
      3   0.427250D+00 -0.155984D+00  0.575370D+00  0.123220D+01  0.568105D+00
               161           162           163           164           165 
      1   0.342477D+00  0.568105D+00  0.643522D+01 -0.316429D+01  0.678993D+00
      2   0.128410D+01  0.792101D+00 -0.316429D+01  0.252949D+01 -0.320837D+00
      3   0.792101D+00 -0.567330D-01  0.678993D+00 -0.320837D+00  0.821275D+00
               166           167           168           169           170 
      1  -0.515515D+01  0.349122D+01 -0.152264D+00  0.285195D+01 -0.864079D+00
      2   0.349122D+01 -0.301052D+01  0.572945D+00 -0.864079D+00  0.110958D+01
      3  -0.152264D+00  0.572945D+00 -0.114411D+01  0.104653D+01 -0.827870D+00
               171 
      1   0.104653D+01
      2  -0.827870D+00
      3   0.883170D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.358685D+01  0.366562D+01  0.431888D+00  0.482755D+01  0.144953D+01
      2  -0.893661D+01  0.226736D+01  0.111702D+01  0.371968D+01 -0.951863D+01
      3  -0.675741D+01  0.898914D+01  0.128441D+01  0.174944D+02  0.109339D+02
                 6             7             8             9            10 
      1  -0.517023D+00  0.667129D+00  0.321079D+01  0.141741D+01  0.370155D+01
      2   0.768680D+00 -0.943294D+01  0.128110D+01  0.223774D+02  0.858831D+01
      3   0.432027D+01 -0.158053D+01  0.675455D+01 -0.101163D+01  0.376153D-01
                11            12            13            14            15 
      1  -0.112592D+01  0.131007D+00 -0.922193D+00  0.454424D+01 -0.503419D+01
      2  -0.132110D+01  0.419909D+01 -0.470171D+01  0.462441D+01 -0.249210D+00
      3  -0.349600D+01 -0.192148D+01  0.134948D+01 -0.134442D+02 -0.326432D+01
                16            17            18            19            20 
      1  -0.562243D+00  0.163795D+01 -0.288602D+01 -0.254526D+01 -0.782900D+00
      2  -0.212358D+01  0.103453D+01 -0.564041D+01 -0.233179D+01  0.216385D+01
      3  -0.849233D+00 -0.243909D+01 -0.891225D+00  0.906964D+01 -0.557981D+01
                21            22            23            24            25 
      1  -0.162412D+01  0.283485D+01 -0.105589D+01  0.361209D+01 -0.315445D+01
      2   0.184868D+01  0.674786D+01 -0.158434D+01  0.245139D+01 -0.795310D+01
      3   0.587027D+00  0.515895D+00  0.218479D+01 -0.141994D+01 -0.233638D+01
                26            27            28            29            30 
      1   0.468979D+01 -0.263611D+01  0.130475D+01  0.403529D+01  0.248909D+01
      2   0.955521D+00 -0.160540D+01 -0.600901D+01 -0.222164D+01 -0.540435D+01
      3   0.178299D+01  0.546772D+00 -0.105196D+02  0.297092D+01 -0.136125D+01
                31            32            33            34            35 
      1  -0.187814D-01 -0.885569D+01 -0.685924D+00  0.154997D+00  0.163510D+01
      2   0.263573D+01  0.153088D+01  0.485284D+00 -0.109269D+02  0.525785D+00
      3   0.263073D+01  0.433224D+01 -0.149793D+01 -0.612636D+01 -0.730208D+01
                36            37            38            39            40 
      1   0.728767D+01 -0.311145D+01 -0.738724D+00 -0.466789D+00 -0.131808D+00
      2   0.934165D+01  0.588525D+01  0.303344D+01  0.809649D+00 -0.265038D+01
      3  -0.222304D+01 -0.385605D-01 -0.275673D+00  0.779122D+00  0.668403D+01
                41            42            43            44            45 
      1   0.271703D+01 -0.441234D+01  0.306310D+01  0.386902D+01 -0.320488D+01
      2   0.257747D+01  0.196876D+01 -0.508610D+01  0.115186D+01  0.593843D+01
      3  -0.725242D+01 -0.234125D+01  0.249589D+01 -0.241918D+01 -0.292577D+01
                46            47            48            49            50 
      1   0.287742D+01 -0.592348D+01  0.447299D+00 -0.627032D+01 -0.801136D+01
      2  -0.109763D+02 -0.640975D+01  0.139864D+02 -0.452169D+01  0.168610D+01
      3  -0.545037D+01  0.251893D+00  0.220432D+01  0.465830D+01  0.615280D+01
                51            52            53            54            55 
      1  -0.990444D+01 -0.358472D+00 -0.365854D+01  0.305625D+01  0.125281D+01
      2  -0.237321D+00  0.631284D+01  0.283414D+00  0.268495D+01 -0.224869D+01
      3   0.408895D+01  0.212591D+01  0.323803D+01  0.244348D+00 -0.148292D+02
                56            57            58            59            60 
      1   0.332339D+01 -0.343525D+01  0.804690D+00 -0.199097D+01 -0.339759D+01
      2   0.241365D+00  0.232705D+01 -0.139174D+01 -0.426341D+00 -0.165315D+01
      3  -0.806902D+01 -0.519180D+00  0.594545D+01 -0.373209D+00  0.500345D+00
                61            62            63            64            65 
      1  -0.227717D+01  0.773003D+01  0.110071D+02 -0.403893D+00 -0.324940D+01
      2  -0.149388D+01 -0.144021D+00  0.122813D+01 -0.185442D+01  0.277245D+01
      3  -0.233585D+01 -0.275535D+01  0.380808D+01  0.279969D+01 -0.866822D+01
                66            67            68            69            70 
      1   0.867016D+00  0.817583D+00  0.292365D+01 -0.327159D+01  0.118459D-01
      2   0.971399D+01  0.156125D+01 -0.473252D+01 -0.347009D+01  0.197222D+01
      3  -0.106299D+01  0.133319D+01  0.614594D+01  0.347959D+01  0.382601D+01
                71            72            73            74            75 
      1   0.531356D+01 -0.248132D+01  0.271490D+00 -0.481078D+00  0.269945D+00
      2  -0.372365D+01 -0.142146D+02  0.776268D+00 -0.602634D+00  0.249885D-01
      3   0.753563D+01  0.357932D+01 -0.365381D+00 -0.116745D+00 -0.395894D+00
                76            77            78            79            80 
      1  -0.834382D+00  0.694975D+00 -0.356010D+00  0.518677D+00  0.376006D+01
      2  -0.107684D+01  0.158635D+00 -0.396294D+00 -0.457575D+01 -0.118489D+00
      3   0.174410D+01 -0.240309D+00 -0.145872D+00  0.669352D+00 -0.142948D+00
                81            82            83            84            85 
      1   0.147368D+01 -0.128840D+01  0.116361D+00 -0.630655D+00 -0.399205D+00
      2   0.452284D+00 -0.177704D+01 -0.308913D+00  0.116082D+00 -0.469220D+00
      3   0.506856D-01  0.366392D+01  0.156844D+01  0.114025D+01  0.599985D+01
                86            87            88            89            90 
      1   0.572867D+00 -0.420741D+01 -0.240032D-01  0.509160D+00 -0.348606D+00
      2  -0.159416D+01 -0.138705D+01 -0.209264D+01 -0.171230D+01 -0.467851D+00
      3   0.918296D+01  0.210390D+01  0.218106D+01  0.191842D+01  0.182996D+01
                91            92            93            94            95 
      1   0.343610D+01  0.197349D+01 -0.198407D+01  0.212803D+01  0.195643D+01
      2  -0.547047D+01 -0.282232D+01  0.399284D+01 -0.270455D+01 -0.196576D+01
      3   0.126624D+01 -0.424700D+01 -0.768165D+00  0.232038D-01 -0.244019D+01
                96            97            98            99           100 
      1  -0.951796D+00 -0.178692D+01 -0.680043D+00  0.129693D+01 -0.169330D+01
      2   0.163315D+01  0.306780D+01  0.179771D+01 -0.240949D+01  0.527373D+00
      3   0.311393D-01  0.388904D+00  0.219375D+01 -0.295117D+00 -0.285269D+01
               101           102           103           104           105 
      1  -0.383751D+00  0.512760D+01 -0.359748D+00 -0.190516D+01 -0.555754D+01
      2   0.623781D+00  0.348896D-01  0.464856D+00  0.876835D-01 -0.189005D-01
      3  -0.107319D+01  0.148991D+01  0.395512D+00 -0.776281D+00 -0.552640D-01
               106           107           108           109           110 
      1   0.286072D+01 -0.320255D+01 -0.127799D+02 -0.834624D+00 -0.179815D+01
      2  -0.268890D+01  0.263176D-01 -0.137167D+01  0.275867D+01  0.471774D+00
      3   0.538775D+01 -0.128905D+00 -0.323105D+01  0.182224D+02  0.141972D+01
               111           112           113           114           115 
      1  -0.267423D+01 -0.166125D+01 -0.871809D+00 -0.160916D+01 -0.486762D+00
      2   0.214626D+01  0.804684D+00  0.483346D+00  0.131025D+01 -0.105167D+01
      3  -0.302188D+00  0.497050D+01  0.193703D+01  0.119330D+01 -0.196291D+01
               116           117           118           119           120 
      1   0.249995D+00 -0.480203D+00  0.203829D+01  0.314577D+01  0.123975D+01
      2   0.470556D+00  0.341812D-01  0.339116D+00 -0.540476D+00  0.514749D+00
      3   0.966896D+00  0.107363D+00 -0.601906D+00 -0.302987D+01 -0.105591D+01
               121           122           123           124           125 
      1   0.247898D+01  0.137905D+02  0.266454D+01  0.149069D+01  0.529763D+01
      2  -0.236633D+01  0.202894D+00  0.327535D+01 -0.222910D+01  0.870405D+00
      3   0.127394D+00 -0.839962D+01 -0.227947D+01 -0.609311D+00 -0.199257D+01
               126           127           128           129           130 
      1   0.333829D+01 -0.201856D+00 -0.242067D+01 -0.130921D+01 -0.896386D+00
      2   0.121559D+01  0.161782D+02  0.329589D+01 -0.618251D+01  0.290268D+01
      3  -0.225882D+01  0.560422D+01  0.150640D+00 -0.207869D+01  0.235018D+01
               131           132           133           134           135 
      1   0.626024D-02  0.373550D+00 -0.358008D+00  0.256484D+01  0.524963D+00
      2   0.227648D+01 -0.178356D+01 -0.837374D+01 -0.194464D+01  0.555376D+01
      3   0.697728D+00 -0.158479D+01 -0.195536D+01 -0.466576D+00  0.199486D+01
               136           137           138           139           140 
      1  -0.267350D+01  0.469096D+01  0.431062D+00  0.358311D+01 -0.468857D+01
      2  -0.405469D+01  0.258124D+01  0.118180D+01  0.399063D+01 -0.135690D+01
      3  -0.200203D+00 -0.328597D+01  0.303873D+00  0.262541D+00  0.333042D+01
               141           142           143           144           145 
      1   0.563277D+00 -0.623200D+00  0.287732D+01 -0.572317D+00 -0.197380D+00
      2  -0.148143D+01 -0.279696D+01  0.132565D+00  0.354599D+00 -0.237994D+01
      3  -0.214583D+01 -0.538278D+00 -0.192001D+01  0.790994D+00  0.712027D+00
               146           147           148           149           150 
      1  -0.141886D+00 -0.394272D-01 -0.567888D+00 -0.347026D+00 -0.196349D+00
      2  -0.104863D+00  0.276838D+00 -0.287232D+00 -0.124175D+01 -0.983229D+00
      3  -0.129470D+01  0.319163D+00 -0.989465D+00 -0.661320D+00  0.200949D+01
               151           152           153           154           155 
      1   0.528945D+00  0.391079D+01 -0.289276D+01 -0.112961D+01 -0.186289D+01
      2  -0.468132D+00 -0.707972D+00 -0.244419D+02  0.282001D+01  0.170109D+01
      3   0.528665D+00  0.310644D+01  0.332816D+00 -0.479767D+01 -0.702718D+01
               156           157           158           159           160 
      1  -0.879929D+00 -0.191590D+01 -0.410541D+01 -0.255318D+01 -0.341474D+00
      2   0.243116D+01  0.155599D+01  0.432240D+01  0.450943D+01  0.110186D+01
      3  -0.485213D+00 -0.423447D+01 -0.191573D+02 -0.234154D+01 -0.448420D+00
               161           162           163           164           165 
      1   0.278468D+00 -0.105341D+01  0.278370D+01 -0.204202D+01  0.160902D+01
      2   0.234395D+01  0.648929D+00  0.689708D+01 -0.381285D+01  0.520772D+01
      3  -0.436039D+01 -0.215398D+01  0.485214D+01 -0.874189D+01  0.834478D+00
               166           167           168           169           170 
      1  -0.222833D+01  0.216869D+01 -0.290126D+01  0.861681D+00 -0.438868D+00
      2  -0.421368D+01  0.447011D+01 -0.474206D+01  0.361739D+01 -0.270849D+01
      3  -0.603953D+01  0.803291D+01 -0.191910D+01  0.113908D+01 -0.356960D+01
               171 
      1   0.941622D+00
      2   0.158977D+01
      3   0.170543D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.577986D-01  0.133440D+02 -0.185677D+02  0.144328D+02 -0.285437D+02
      2  -0.669187D+01 -0.475812D+01  0.849372D+01 -0.455802D+01  0.874613D+01
      3   0.663407D+01 -0.858592D+01  0.100740D+02 -0.987478D+01  0.197976D+02
      4   0.174863D+02 -0.243800D+02  0.303876D+01 -0.350851D+02 -0.108920D+02
      5  -0.199215D+02 -0.606209D+00  0.691256D+01 -0.159276D+01 -0.796580D+01
      6   0.737340D+00  0.267633D+01 -0.971950D+00  0.234813D+01  0.400657D+01
                 6             7             8             9            10 
      1  -0.437828D+00 -0.235715D+02  0.286944D+01  0.129054D+02 -0.112048D+02
      2   0.131595D+01  0.764401D+01  0.161344D+00  0.908943D+01  0.511102D+00
      3  -0.878119D+00  0.159275D+02 -0.303079D+01 -0.219948D+02  0.106937D+02
      4  -0.100138D+02  0.588629D+01 -0.131343D+02  0.240742D+01 -0.596375D+01
      5   0.860511D+00  0.241267D+01  0.150983D+01  0.320374D+02  0.174621D+02
      6   0.149691D+01  0.484280D+00  0.205217D+01 -0.789989D+01 -0.532360D+01
                11            12            13            14            15 
      1  -0.242609D+01  0.145494D+02 -0.304371D+01  0.202349D+02  0.416855D+01
      2   0.333118D+00 -0.100487D+02  0.398454D+00 -0.231898D+02 -0.645927D+01
      3   0.209297D+01 -0.450066D+01  0.264525D+01  0.295491D+01  0.229072D+01
      4   0.889515D+01 -0.265703D+01  0.212701D+02  0.351895D+01  0.527040D+01
      5   0.453195D+00 -0.228683D+01  0.602446D+00  0.558837D+01  0.389129D-01
      6   0.257235D+00  0.606516D+00  0.106736D+01 -0.107893D+02  0.432707D+01
                16            17            18            19            20 
      1   0.193295D+02  0.720062D+00  0.272975D+01 -0.508695D+01 -0.175523D+01
      2  -0.921880D+01 -0.375652D+01 -0.212195D+01  0.917582D+01 -0.391217D+01
      3  -0.101107D+02  0.303646D+01 -0.607804D+00 -0.408887D+01  0.566739D+01
      4  -0.560621D+01  0.533000D+01  0.156894D+01 -0.303648D+01 -0.217977D+01
      5  -0.125027D+01  0.184829D+01 -0.138341D+02 -0.567214D+01 -0.124924D+01
      6  -0.380156D+00 -0.291594D+01  0.485702D+01  0.160384D+01  0.137635D+01
                21            22            23            24            25 
      1  -0.296358D+01  0.363971D+01  0.903292D+00  0.656713D+00 -0.974548D+01
      2   0.516854D+01 -0.518576D+01 -0.218585D+01  0.465838D+01  0.516661D+01
      3  -0.220496D+01  0.154605D+01  0.128256D+01 -0.531509D+01  0.457888D+01
      4   0.725600D+00 -0.146102D+02  0.331335D+01 -0.268990D+01  0.443213D+01
      5   0.130929D+01  0.163347D+01  0.459244D+00  0.526503D+01  0.312987D+01
      6  -0.593843D+00 -0.413544D+01  0.579621D+01 -0.968279D+01 -0.155698D+01
                26            27            28            29            30 
      1   0.867171D+01  0.852357D+01 -0.540623D+01  0.113844D+02 -0.464548D+00
      2  -0.478793D+01  0.191564D+02  0.303326D+01 -0.826088D+01 -0.344789D+01
      3  -0.388378D+01 -0.276799D+02  0.237297D+01 -0.312353D+01  0.391244D+01
      4   0.978271D+00 -0.211879D+01  0.107827D+02 -0.712381D+01 -0.879630D+01
      5  -0.926277D+00  0.116674D+01  0.704026D+01 -0.785584D+01 -0.128171D+02
      6   0.667738D+01 -0.224136D+01 -0.581345D+01  0.186458D+01 -0.271789D+01
                31            32            33            34            35 
      1   0.179714D+02  0.590812D+01 -0.514646D+01  0.172162D+02 -0.239868D+01
      2  -0.955009D+01 -0.707342D+01  0.911723D+01 -0.948591D+01 -0.362520D+01
      3  -0.842135D+01  0.116530D+01 -0.397077D+01 -0.773033D+01  0.602388D+01
      4  -0.216666D+01 -0.161820D+01 -0.162817D+01 -0.106518D+02  0.772720D+01
      5  -0.174025D+02 -0.976906D+00 -0.327409D+01 -0.120171D+02  0.374890D+00
      6  -0.345953D+01 -0.644816D+01 -0.232696D+01 -0.967938D+00 -0.179473D+01
                36            37            38            39            40 
      1  -0.804312D+01 -0.193306D+02 -0.100766D+02  0.753465D+01 -0.977083D+01
      2   0.555511D+01  0.370246D+01  0.413095D+01 -0.458041D+01  0.403229D+01
      3   0.248801D+01  0.156281D+02  0.594561D+01 -0.295424D+01  0.573854D+01
      4   0.328738D+01 -0.171958D+02 -0.584704D+01  0.670260D+01  0.311403D+01
      5   0.150823D+02  0.783968D+01  0.400834D+01  0.764678D+01  0.841856D+01
      6  -0.573424D+01  0.574475D+01  0.219585D+01  0.163970D+01  0.624616D+01
                41            42            43            44            45 
      1  -0.174552D+02 -0.805631D+00  0.126873D+02  0.132719D+01 -0.386880D+01
      2   0.216914D+02  0.233048D+00 -0.513522D+01  0.275402D+01 -0.383784D+01
      3  -0.423623D+01  0.572583D+00 -0.755210D+01 -0.408121D+01  0.770664D+01
      4   0.137414D+02  0.803828D+01  0.146672D+02  0.115829D+02  0.556463D+01
      5   0.821621D+01  0.790774D+01  0.125063D+02  0.862292D+01  0.151371D+02
      6   0.873966D+01  0.965044D+01  0.380703D+01  0.101138D+02  0.923963D+01
                46            47            48            49            50 
      1   0.133213D+02  0.674620D+01 -0.122157D+02  0.522855D+01 -0.433526D+01
      2  -0.143397D+01 -0.870452D-01  0.334629D+01  0.401535D+00  0.102696D+02
      3  -0.118873D+02 -0.665915D+01  0.886937D+01 -0.563009D+01 -0.593437D+01
      4   0.654602D+01 -0.145413D+02  0.946497D+01 -0.168155D+02 -0.199871D+01
      5  -0.697696D+01  0.105460D+02 -0.113956D+02  0.826713D+01 -0.194590D+02
      6   0.168859D+02 -0.118257D+02  0.108778D+00 -0.134855D+02 -0.506154D+01
                51            52            53            54            55 
      1   0.925726D+00 -0.102793D+02 -0.585655D+00 -0.771682D+01  0.123085D+01
      2   0.423241D+01  0.229730D+01  0.246321D+01 -0.639612D+01 -0.353716D+01
      3  -0.515814D+01  0.798204D+01 -0.187756D+01  0.141129D+02  0.230632D+01
      4  -0.126656D+02  0.744619D+01 -0.852278D+01 -0.282140D-01 -0.188946D+02
      5   0.966005D+00 -0.127319D+02 -0.617126D+00  0.110882D+02  0.625572D+01
      6  -0.153102D+02  0.258114D+00 -0.111702D+02 -0.381355D+00 -0.151738D+01
                56            57            58            59            60 
      1  -0.292294D+01  0.306427D+01 -0.324496D+01 -0.229216D+02  0.384045D+01
      2   0.104920D+00 -0.267319D+01  0.142820D+01  0.336979D+02 -0.726606D+01
      3   0.281802D+01 -0.391076D+00  0.181676D+01 -0.107763D+02  0.342561D+01
      4  -0.118722D+01 -0.256995D+01  0.307530D+01 -0.458792D+01  0.218137D+00
      5  -0.138686D+01  0.435501D+01 -0.294872D+00 -0.968089D+00 -0.380923D+01
      6  -0.297746D+01  0.559778D+01  0.635462D+00 -0.684298D+01  0.723537D+01
                61            62            63            64            65 
      1   0.144544D+01  0.533311D+01 -0.337498D+00  0.343892D+02 -0.971084D+01
      2  -0.468354D+01 -0.101284D+01 -0.660143D+01 -0.187571D+02  0.387601D+01
      3   0.323810D+01 -0.432027D+01  0.693893D+01 -0.156321D+02  0.583483D+01
      4  -0.229869D+01 -0.114976D+01  0.330011D+01 -0.154388D+02  0.163413D+02
      5   0.270320D+01  0.185436D+00  0.162298D+01 -0.175917D+02  0.779718D+01
      6   0.300290D+01  0.101593D+00 -0.186811D+02  0.250382D+01 -0.348223D+01
                66            67            68            69            70 
      1  -0.885607D+01 -0.152706D+02  0.725515D+00  0.164153D+01 -0.157022D+02
      2   0.928314D+01  0.644443D+01  0.520301D+01 -0.266026D+01  0.106441D+02
      3  -0.427070D+00  0.882614D+01 -0.592853D+01  0.101872D+01  0.505812D+01
      4   0.798641D+01  0.156430D+02 -0.164386D+02 -0.886113D+01  0.556814D+01
      5   0.191094D+02  0.816058D+01 -0.900257D+01 -0.661558D+01  0.222392D+02
      6  -0.177409D+01 -0.432333D+01  0.328920D+01  0.768264D+01 -0.332698D+01
                71            72            73            74            75 
      1  -0.382674D+00  0.279830D+01  0.129445D+01  0.387618D+00  0.103606D+00
      2   0.477266D+00 -0.147113D+02 -0.537156D+01  0.578182D+00  0.181158D-01
      3  -0.945919D-01  0.119130D+02  0.407711D+01 -0.965800D+00 -0.121722D+00
      4  -0.130508D+02 -0.103506D+02 -0.208305D+00  0.185573D+01 -0.304804D+00
      5  -0.837956D+01 -0.298907D+02  0.712257D-01  0.518254D+00  0.682435D+01
      6   0.736554D+01  0.421082D+01 -0.240946D+00  0.314569D+00 -0.393656D+00
                76            77            78            79            80 
      1   0.107436D+01 -0.401534D+01 -0.114790D+01  0.112905D+01 -0.134575D+00
      2   0.257283D+00 -0.733790D+00 -0.301705D+01  0.403873D+00 -0.475015D+01
      3  -0.133165D+01  0.474913D+01  0.416495D+01 -0.153292D+01  0.488472D+01
      4   0.270931D+01 -0.236337D+00  0.702172D+00 -0.432178D-01 -0.259207D+00
      5   0.441483D+00  0.125317D-01 -0.680508D+00  0.541723D+01 -0.911974D-01
      6   0.102022D+01  0.634240D+00  0.811795D+01  0.942890D+00  0.464789D+01
                81            82            83            84            85 
      1  -0.203231D+02 -0.346104D+00 -0.376143D+01 -0.263851D+01 -0.559900D+01
      2  -0.208909D+02  0.411553D+01  0.503824D+01  0.239694D+01  0.573416D+01
      3   0.412140D+02 -0.376943D+01 -0.127681D+01  0.241568D+00 -0.135166D+00
      4   0.940150D+00  0.105297D+01  0.435701D+01  0.766115D+00  0.267903D+01
      5   0.154502D+00 -0.170860D+01  0.683965D+00  0.118076D+01  0.114084D+01
      6  -0.856188D+00  0.169561D+01  0.203465D+01  0.662509D+00  0.133699D+01
                86            87            88            89            90 
      1  -0.204187D+02 -0.256468D+01 -0.418240D+01 -0.433541D+01 -0.526731D+01
      2   0.322052D+02  0.579857D+01  0.264787D+01  0.426188D+01  0.299022D+01
      3  -0.117866D+02 -0.323388D+01  0.153453D+01  0.735266D-01  0.227710D+01
      4  -0.104804D+02 -0.199777D+01  0.286131D+00 -0.249324D+01 -0.162372D+01
      5  -0.248792D+01 -0.346867D+01  0.254129D+01 -0.221784D+01 -0.643282D-01
      6   0.858019D+01  0.705167D+01  0.141167D+01  0.961200D+01  0.476964D+01
                91            92            93            94            95 
      1   0.398590D+02  0.160138D+02 -0.202353D+01  0.668712D+01  0.529379D+01
      2  -0.138419D+02 -0.305301D+01 -0.148172D+00  0.123922D+01  0.287796D+01
      3  -0.260172D+02 -0.129608D+02  0.217170D+01 -0.792634D+01 -0.817175D+01
      4   0.303377D+02  0.202432D+02 -0.528600D+00  0.146468D+02  0.138573D+02
      5   0.337633D+01  0.197470D+01  0.550865D+01  0.770606D+00  0.109335D+01
      6  -0.827208D+00  0.415848D+00  0.242663D+01  0.529369D+00  0.493051D+00
                96            97            98            99           100 
      1  -0.515936D+00 -0.118817D+02 -0.549219D+01  0.358288D+01  0.212810D+00
      2  -0.257000D+00  0.361092D+01  0.444117D+00 -0.143445D+01  0.780627D-01
      3   0.772936D+00  0.827075D+01  0.504808D+01 -0.214842D+01 -0.290873D+00
      4  -0.331030D+00 -0.107532D+02 -0.754189D+01  0.463510D+01 -0.172531D+01
      5   0.220889D+01  0.600815D+01  0.323946D+01 -0.185418D+01 -0.854217D+00
      6   0.198936D+01  0.365155D+01  0.272602D+01 -0.157365D+01  0.234727D+01
               101           102           103           104           105 
      1   0.419465D+01 -0.315305D+00  0.881931D+00 -0.483284D+01 -0.256109D+01
      2  -0.608010D+01 -0.123028D+01 -0.142609D+01  0.728310D+01  0.357877D+01
      3   0.188545D+01  0.154558D+01  0.544162D+00 -0.245026D+01 -0.101768D+01
      4   0.263035D+01  0.164119D+01  0.266822D+01 -0.143936D+01 -0.437642D+00
      5   0.785029D-01  0.662683D+00  0.447958D+00 -0.510688D+00  0.287136D+00
      6   0.784075D+00 -0.743176D+01 -0.339931D+00  0.316751D+01  0.103278D+02
               106           107           108           109           110 
      1   0.771030D+00 -0.749375D+01 -0.851251D+01  0.583347D+01 -0.247936D+01
      2   0.627973D-01  0.843835D+01  0.576137D+01  0.421704D+01  0.906243D+01
      3  -0.833828D+00 -0.944606D+00  0.275114D+01 -0.100505D+02 -0.658307D+01
      4   0.410207D+01 -0.743804D+00 -0.374882D+01  0.219864D+02  0.144465D+02
      5   0.129702D+01 -0.677487D+00 -0.430731D+00 -0.438054D+01 -0.724170D+00
      6  -0.464605D+01  0.109015D+02  0.176697D+02 -0.183618D+01 -0.266154D+00
               111           112           113           114           115 
      1  -0.140831D+01  0.122202D+01 -0.111984D+01  0.349726D+00 -0.227299D+01
      2   0.142173D+01  0.356706D+01  0.671440D+01 -0.411533D+00  0.293083D+01
      3  -0.134224D-01 -0.478908D+01 -0.559457D+01  0.618074D-01 -0.657838D+00
      4  -0.774892D+00  0.133186D+02  0.787132D+01  0.207684D+01 -0.150446D+01
      5   0.248305D+01 -0.394175D+00  0.914609D-01  0.156405D+01  0.361889D+01
      6   0.298696D+01  0.147483D+01 -0.462041D+00  0.323032D+01  0.776220D+00
               116           117           118           119           120 
      1   0.823314D+00 -0.953248D+00  0.217517D+01  0.215390D+01  0.197109D+01
      2  -0.636450D-01  0.594342D+00 -0.320145D+01 -0.252646D+01 -0.320387D+01
      3  -0.759669D+00  0.358906D+00  0.102628D+01  0.372560D+00  0.123279D+01
      4   0.161842D+01  0.120603D+01  0.360594D+01  0.690019D+01  0.148584D+01
      5   0.443836D+00 -0.942704D+00  0.606898D+01  0.407076D+01  0.775192D+01
      6   0.402489D+01 -0.643377D+00  0.198453D+01  0.538165D+01  0.191038D+01
               121           122           123           124           125 
      1   0.350510D+01 -0.269963D+01 -0.475335D+01  0.662228D+00 -0.287925D+01
      2  -0.418155D+01 -0.818822D+00 -0.681574D+01 -0.212361D+01 -0.344994D+01
      3   0.676454D+00  0.351845D+01  0.115691D+02  0.146139D+01  0.632919D+01
      4   0.653673D+01  0.134197D+02  0.689192D+01  0.647604D+00  0.471663D+01
      5   0.747803D+01  0.106695D+02  0.107398D+02  0.584636D+01  0.558086D+01
      6   0.583095D+01  0.184750D+02  0.105134D+02  0.226258D+01  0.987874D+01
               126           127           128           129           130 
      1  -0.417005D+01 -0.968492D+01 -0.559251D+01  0.133013D+02 -0.414151D+01
      2  -0.411569D+01  0.391819D+00  0.227075D+01  0.239241D+01  0.226110D+01
      3   0.828574D+01  0.929310D+01  0.332176D+01 -0.156937D+02  0.188041D+01
      4   0.396956D+01  0.558477D+01  0.343617D+01 -0.372120D+01  0.441772D+01
      5   0.621529D+01 -0.124167D+02 -0.383427D+01  0.582872D+01 -0.372960D+01
      6   0.640034D+01 -0.743706D+01 -0.570804D+01  0.740410D+01 -0.342334D+01
               131           132           133           134           135 
      1  -0.438297D+01  0.412054D+01  0.928073D+01  0.367579D+01 -0.113382D+02
      2   0.194826D+01 -0.127037D+01  0.170781D+01 -0.593392D+00 -0.450989D+01
      3   0.243471D+01 -0.285017D+01 -0.109885D+02 -0.308239D+01  0.158481D+02
      4   0.172255D+01  0.362451D+00 -0.261338D+01 -0.666570D-01  0.222495D+01
      5   0.237530D+00  0.681472D+00  0.871022D+01  0.156038D+01 -0.512768D+01
      6  -0.409393D+01  0.725465D+01  0.448075D+01  0.619573D+01 -0.615282D+01
               136           137           138           139           140 
      1   0.114187D+02 -0.418750D+01  0.228414D+01 -0.480274D+01 -0.218305D+01
      2  -0.754404D+01  0.461172D+00 -0.584399D+01  0.459257D+00  0.544356D+01
      3  -0.387461D+01  0.372632D+01  0.355984D+01  0.434348D+01 -0.326051D+01
      4  -0.158817D+02  0.145705D+02 -0.909569D+01  0.154108D+02 -0.158631D+02
      5   0.200402D+02 -0.123572D+02  0.170076D+02 -0.133777D+02  0.136645D+02
      6  -0.118846D+02  0.118839D+02 -0.921024D+01  0.113923D+02 -0.152726D+02
               141           142           143           144           145 
      1   0.333685D+01  0.144739D+01  0.235959D+01 -0.222253D+01  0.125963D+01
      2   0.105654D+01 -0.438050D+01  0.104237D+01 -0.447932D+01 -0.281189D+01
      3  -0.439339D+01  0.293311D+01 -0.340195D+01  0.670185D+01  0.155226D+01
      4   0.992732D+01 -0.550819D+01  0.617833D+01 -0.748144D+01 -0.137506D+01
      5  -0.116930D+02  0.123639D+02 -0.804375D+01  0.117318D+02 -0.326100D+01
      6   0.136040D+02 -0.679456D+01  0.101343D+02 -0.979221D+01  0.727355D+00
               146           147           148           149           150 
      1  -0.144155D+01 -0.469996D+01 -0.187422D+01  0.832626D+00 -0.132692D+01
      2   0.442752D+00  0.254253D+01  0.529434D+00 -0.121006D+01  0.616979D+00
      3   0.998803D+00  0.215742D+01  0.134479D+01  0.377435D+00  0.709941D+00
      4   0.287672D+01  0.232787D+00  0.559017D+01 -0.188839D+00 -0.408195D+01
      5   0.116454D+00  0.626811D+01  0.775958D+00 -0.384476D+01 -0.141831D+01
      6   0.462476D-01  0.624804D+00 -0.146691D+01  0.147872D+01  0.677915D+01
               151           152           153           154           155 
      1  -0.778417D+01 -0.105810D+01 -0.129255D+02  0.161011D+02  0.909032D+01
      2   0.865008D+01  0.203297D+00 -0.203882D+02 -0.536943D+01 -0.290716D+01
      3  -0.865918D+00  0.854800D+00  0.333137D+02 -0.107317D+02 -0.618317D+01
      4   0.106142D+01 -0.547540D+01 -0.256163D+01  0.960089D+01  0.158475D+02
      5   0.156735D+02 -0.186089D+01 -0.465769D+02  0.112104D+01  0.388461D+00
      6  -0.216427D+01  0.661812D+01  0.839275D+01 -0.100015D+01 -0.251216D+01
               156           157           158           159           160 
      1   0.281179D+01  0.186574D+02  0.115115D+02  0.437849D+00  0.885888D+01
      2  -0.813145D+00 -0.801823D+01  0.268302D+01  0.130776D+01 -0.384227D+01
      3  -0.199865D+01 -0.106392D+02 -0.141945D+02 -0.174561D+01 -0.501661D+01
      4   0.129881D+01  0.193727D+02  0.301520D+02  0.303478D+01  0.293484D+01
      5   0.323349D+01 -0.199591D+01  0.318474D+01  0.776988D+01  0.404880D+01
      6   0.404819D+00 -0.154174D+01 -0.511957D+01  0.164809D+01  0.119230D+01
               161           162           163           164           165 
      1   0.197046D+01  0.639463D+00  0.444949D+02 -0.184694D+02  0.515281D+01
      2   0.103477D+00 -0.190645D+01 -0.169591D+02  0.504063D+01 -0.138369D+01
      3  -0.207393D+01  0.126699D+01 -0.275358D+02  0.134287D+02 -0.376912D+01
      4   0.663894D+01  0.435924D+01 -0.268952D+02  0.219686D+02 -0.287721D+01
      5   0.498530D+01  0.243863D+00  0.972699D+00 -0.604567D+00  0.710169D+01
      6   0.171352D+01  0.127174D+01  0.165018D+01 -0.245960D+01 -0.127954D+01
               166           167           168           169           170 
      1  -0.257987D+02  0.147585D+02 -0.156307D+01  0.142821D+02 -0.433533D+01
      2   0.665890D+01  0.192791D+01 -0.106847D+01 -0.520629D+01  0.345346D+00
      3   0.191398D+02 -0.166864D+02  0.263155D+01 -0.907581D+01  0.398999D+01
      4   0.286666D+02 -0.234842D+02  0.364961D+01 -0.805287D+01  0.766710D+01
      5   0.650394D+00  0.199831D+01 -0.733003D+01  0.792425D+01 -0.516840D+01
      6  -0.224116D+01  0.144717D+01  0.309560D+01 -0.206467D+01  0.222755D+01
               171 
      1   0.337642D+01
      2  -0.287634D+01
      3  -0.500074D+00
      4  -0.555028D+01
      5   0.170601D+01
      6  -0.838112D+00
 Leave Link  716 at Thu Aug 12 19:53:50 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.904416D+02  0.368679D+00 -0.253512D+01
      2   0.368679D+00  0.791098D+02  0.201741D+01
      3  -0.253512D+01  0.201741D+01  0.766845D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.278177D+01  0.103353D+01 -0.121316D+01
      2   0.676680D+01 -0.719695D+01  0.313675D+02
      3   0.849046D+01 -0.258512D+02  0.871055D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.736212D+02 -0.269772D+02  0.170904D+01
      2  -0.420058D+02  0.270818D+02 -0.922918D+01
      3  -0.316154D+02 -0.104583D+00  0.752014D+01
      4  -0.290211D+02  0.449386D+02 -0.186299D+02
      5   0.927290D+01 -0.214754D+02  0.634126D+02
      6  -0.474252D+01  0.329295D+00 -0.711015D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.148099D+00  0.241523D+01 -0.355857D+01  0.435403D+01 -0.468117D+01
      2   0.241523D+01 -0.397022D+01  0.118397D+00 -0.468117D+01 -0.252606D+01
      3  -0.355857D+01  0.118397D+00  0.126459D+01 -0.825934D-01 -0.201467D+01
                 6             7             8             9            10 
      1  -0.825934D-01 -0.523180D+01  0.544386D+00 -0.247366D+00  0.218011D+01
      2  -0.201467D+01  0.544386D+00 -0.247844D+01  0.336260D+00 -0.279242D+01
      3   0.471512D+00 -0.247366D+00  0.336260D+00  0.755919D+01  0.445637D+01
                11            12            13            14            15 
      1  -0.279242D+01  0.445637D+01 -0.709416D+01  0.442711D+01  0.277925D+00
      2   0.423654D+01  0.395681D+00  0.442711D+01  0.464840D+01  0.301053D+01
      3   0.395681D+00 -0.330415D+00  0.277925D+00  0.301053D+01  0.382093D-01
                16            17            18            19            20 
      1   0.747841D+01 -0.246996D+00  0.293803D-01 -0.447007D+01  0.469854D+01
      2  -0.246996D+00  0.349472D+01  0.353637D+00  0.469854D+01 -0.238647D+01
      3   0.293803D-01  0.353637D+00 -0.549740D+01 -0.121488D+01  0.646340D+00
                21            22            23            24            25 
      1  -0.121488D+01  0.801559D+01 -0.108776D+01 -0.405548D+00 -0.380177D+01
      2   0.646340D+00 -0.108776D+01 -0.391753D+00 -0.268230D-01  0.649295D+00
      3  -0.574759D+00 -0.405548D+00 -0.268230D-01  0.220707D+01 -0.667838D+00
                26            27            28            29            30 
      1   0.649295D+00 -0.667838D+00  0.782880D+00 -0.299902D+01 -0.986079D+00
      2  -0.283258D+01  0.243966D+01 -0.299902D+01 -0.501234D-01  0.185028D+01
      3   0.243966D+01  0.683735D+01 -0.986079D+00  0.185028D+01  0.316340D+00
                31            32            33            34            35 
      1  -0.476493D+01 -0.596587D+00  0.225561D+01 -0.519626D+01  0.167363D+01
      2  -0.596587D+00 -0.775426D+00  0.806493D+00  0.167363D+01 -0.312146D+00
      3   0.225561D+01  0.806493D+00 -0.148324D+01  0.201162D+01 -0.895638D+00
                36            37            38            39            40 
      1   0.201162D+01  0.553638D+01  0.221404D+01 -0.174805D+01  0.782563D+00
      2  -0.895638D+00  0.221404D+01  0.233816D+01 -0.860306D+00  0.453750D+00
      3  -0.308295D+01 -0.174805D+01 -0.860306D+00  0.375497D+00 -0.109180D+01
                41            42            43            44            45 
      1   0.453750D+00 -0.109180D+01 -0.374496D+01 -0.197765D+01 -0.122103D+01
      2  -0.282684D+01 -0.180460D+01 -0.197765D+01 -0.225246D+01 -0.160580D+01
      3  -0.180460D+01 -0.654603D+00 -0.122103D+01 -0.160580D+01 -0.275061D+01
                46            47            48            49            50 
      1   0.124918D+01  0.322684D+01 -0.478410D+01  0.335345D+01 -0.344027D+01
      2   0.322684D+01 -0.319938D+01  0.151419D+00 -0.344027D+01 -0.247460D+01
      3  -0.478410D+01  0.151419D+00  0.926435D+00  0.387978D-01 -0.336924D+01
                51            52            53            54            55 
      1   0.387978D-01 -0.370449D+01 -0.754676D-01  0.385385D+00 -0.371424D+01
      2  -0.336924D+01 -0.754676D-01 -0.252311D+01 -0.158941D+00 -0.844129D+00
      3   0.332066D+00  0.385385D+00 -0.158941D+00  0.366095D+01 -0.693339D-02
                56            57            58            59            60 
      1  -0.844129D+00 -0.693339D-02 -0.244675D+01 -0.682544D+00  0.100573D+00
      2   0.391159D+00 -0.316501D+00 -0.682544D+00  0.387666D+01 -0.191655D+01
      3  -0.316501D+00  0.162762D+01  0.100573D+00 -0.191655D+01 -0.183633D+01
                61            62            63            64            65 
      1  -0.179244D-01 -0.952553D+00  0.799315D+00 -0.628802D+01  0.255018D+01
      2  -0.952553D+00 -0.231882D+00 -0.608864D+00  0.255018D+01 -0.163441D+01
      3   0.799315D+00 -0.608864D+00 -0.373623D+01  0.294898D+01 -0.146453D+01
                66            67            68            69            70 
      1   0.294898D+01  0.486800D+01 -0.194495D+01 -0.134707D+01  0.675400D+01
      2  -0.146453D+01 -0.194495D+01  0.403496D+01  0.173809D+01 -0.928713D+00
      3  -0.184655D+01 -0.134707D+01  0.173809D+01  0.183083D+01 -0.320614D+01
                71            72            73            74            75 
      1  -0.928713D+00 -0.320614D+01  0.696139D+00 -0.789421D+00 -0.108336D+01
      2   0.246369D+01  0.208355D+01 -0.789421D+00  0.507255D+00  0.314877D-02
      3   0.208355D+01  0.622772D+01 -0.108336D+01  0.314877D-02  0.354005D+00
                76            77            78            79            80 
      1  -0.127247D+01  0.222204D+00  0.108661D+00 -0.125697D+01 -0.880024D-01
      2   0.222204D+00 -0.132746D+00 -0.132065D+01 -0.880024D-01 -0.169105D+01
      3   0.108661D+00 -0.132065D+01 -0.795612D+00  0.275531D+00 -0.975969D+00
                81            82            83            84            85 
      1   0.275531D+00 -0.132967D+01 -0.100974D+01 -0.103857D+01 -0.101654D+01
      2  -0.975969D+00 -0.100974D+01 -0.173971D+01 -0.167400D+00 -0.127802D+01
      3  -0.922955D+01 -0.103857D+01 -0.167400D+00 -0.490996D+00 -0.795320D-01
                86            87            88            89            90 
      1  -0.127802D+01 -0.795320D-01 -0.139316D+01 -0.139364D+00 -0.150370D+00
      2  -0.831619D+01 -0.166432D+01 -0.139364D+00 -0.198319D+01 -0.166462D+01
      3  -0.166432D+01 -0.163036D+01 -0.150370D+00 -0.166462D+01 -0.566679D+00
                91            92            93            94            95 
      1  -0.830727D+01 -0.412530D+01  0.169128D+00 -0.246885D+01 -0.214804D+01
      2  -0.412530D+01 -0.324723D+01 -0.551023D-01 -0.214804D+01 -0.259284D+01
      3   0.169128D+00 -0.551023D-01 -0.116420D+01  0.158199D+00 -0.384828D-01
                96            97            98            99           100 
      1   0.158199D+00  0.278229D+01  0.159656D+01 -0.108384D+01 -0.131730D+01
      2  -0.384828D-01  0.159656D+01  0.126031D+01 -0.643375D+00  0.140249D+00
      3  -0.633799D+00 -0.108384D+01 -0.643375D+00  0.317261D+00  0.551279D+00
               101           102           103           104           105 
      1   0.140249D+00  0.551279D+00  0.472344D+00 -0.340700D+00 -0.848738D-01
      2  -0.175877D+01 -0.313241D+00 -0.340700D+00  0.186027D+01  0.931312D+00
      3  -0.313241D+00 -0.203541D+01 -0.848738D-01  0.931312D+00  0.209483D+01
               106           107           108           109           110 
      1   0.166960D+01  0.180608D-01 -0.950158D+00  0.606112D+01  0.233697D+01
      2   0.180608D-01  0.238126D+01  0.195232D+01  0.233697D+01  0.274325D+01
      3  -0.950158D+00  0.195232D+01  0.413939D+01 -0.375879D+00  0.210724D+00
               111           112           113           114           115 
      1  -0.375879D+00  0.252577D+01  0.119699D+01  0.416860D+00 -0.105022D+01
      2   0.210724D+00  0.119699D+01  0.218143D+01 -0.301199D-01  0.341397D+00
      3   0.704702D+00  0.416860D+00 -0.301199D-01  0.813172D+00  0.266998D+00
               116           117           118           119           120 
      1   0.341397D+00  0.266998D+00  0.979527D+00  0.670455D+00  0.116010D+01
      2  -0.734846D+00  0.575768D+00  0.670455D+00  0.146513D+01  0.534489D+00
      3   0.575768D+00 -0.436943D+00  0.116010D+01  0.534489D+00  0.841313D+00
               121           122           123           124           125 
      1   0.127955D+01  0.126312D+01  0.960655D+00  0.818368D+00  0.387746D+00
      2   0.126312D+01  0.498246D+01  0.191306D+01  0.387746D+00  0.175237D+01
      3   0.960655D+00  0.191306D+01  0.305057D+01  0.473214D+00  0.141644D+01
               126           127           128           129           130 
      1   0.473214D+00 -0.503299D+01 -0.124329D+01  0.249198D+01 -0.127106D+01
      2   0.141644D+01 -0.124329D+01 -0.102666D+01  0.931247D+00 -0.554951D+00
      3   0.172494D+01  0.249198D+01  0.931247D+00 -0.342616D+01  0.532832D+00
               131           132           133           134           135 
      1  -0.554951D+00  0.532832D+00  0.199908D+01  0.521180D+00 -0.187477D+01
      2  -0.753782D+00  0.123684D+01  0.521180D+00  0.929554D+00 -0.727804D+00
      3   0.123684D+01 -0.105181D+01 -0.187477D+01 -0.727804D+00  0.269581D+01
               136           137           138           139           140 
      1   0.397213D+01 -0.259290D+01  0.261873D+01 -0.286566D+01  0.256543D+01
      2  -0.259290D+01  0.246993D+01 -0.143979D+01  0.256543D+01 -0.320132D+01
      3   0.261873D+01 -0.143979D+01  0.237549D+01 -0.151284D+01  0.234212D+01
               141           142           143           144           145 
      1  -0.151284D+01  0.142892D+01 -0.943408D+00  0.156320D+01  0.141996D+00
      2   0.234212D+01 -0.943408D+00  0.145307D+01 -0.151505D+01 -0.185678D+00
      3  -0.241526D+01  0.156320D+01 -0.151505D+01  0.192402D+01 -0.674323D+00
               146           147           148           149           150 
      1  -0.185678D+00 -0.674323D+00 -0.518589D+00  0.766595D+00  0.623992D-01
      2   0.208233D+00 -0.493271D-02  0.766595D+00 -0.437076D-01 -0.941301D+00
      3  -0.493271D-02 -0.166039D+00  0.623992D-01 -0.941301D+00 -0.425329D+00
               151           152           153           154           155 
      1  -0.192966D+01  0.141506D+00  0.198225D+01  0.227679D+01  0.149367D+01
      2   0.141506D+00 -0.108894D+01 -0.325798D+00  0.149367D+01  0.212382D+01
      3   0.198225D+01 -0.325798D+00 -0.981786D+01  0.395191D+00  0.100919D+00
               156           157           158           159           160 
      1   0.395191D+00  0.322287D+01  0.236857D+01 -0.155984D+00  0.154461D+01
      2   0.100919D+00  0.236857D+01  0.546160D+01  0.575370D+00  0.342477D+00
      3   0.427250D+00 -0.155984D+00  0.575370D+00  0.123220D+01  0.568105D+00
               161           162           163           164           165 
      1   0.342477D+00  0.568105D+00  0.643522D+01 -0.316429D+01  0.678993D+00
      2   0.128410D+01  0.792101D+00 -0.316429D+01  0.252949D+01 -0.320837D+00
      3   0.792101D+00 -0.567330D-01  0.678993D+00 -0.320837D+00  0.821275D+00
               166           167           168           169           170 
      1  -0.515515D+01  0.349122D+01 -0.152264D+00  0.285195D+01 -0.864079D+00
      2   0.349122D+01 -0.301052D+01  0.572945D+00 -0.864079D+00  0.110958D+01
      3  -0.152264D+00  0.572945D+00 -0.114411D+01  0.104653D+01 -0.827870D+00
               171 
      1   0.104653D+01
      2  -0.827870D+00
      3   0.883170D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.358685D+01  0.366562D+01  0.431888D+00  0.482755D+01  0.144953D+01
      2  -0.893661D+01  0.226736D+01  0.111702D+01  0.371968D+01 -0.951863D+01
      3  -0.675741D+01  0.898914D+01  0.128441D+01  0.174944D+02  0.109339D+02
                 6             7             8             9            10 
      1  -0.517023D+00  0.667129D+00  0.321079D+01  0.141741D+01  0.370155D+01
      2   0.768680D+00 -0.943294D+01  0.128110D+01  0.223774D+02  0.858831D+01
      3   0.432027D+01 -0.158053D+01  0.675455D+01 -0.101163D+01  0.376153D-01
                11            12            13            14            15 
      1  -0.112592D+01  0.131007D+00 -0.922193D+00  0.454424D+01 -0.503419D+01
      2  -0.132110D+01  0.419909D+01 -0.470171D+01  0.462441D+01 -0.249210D+00
      3  -0.349600D+01 -0.192148D+01  0.134948D+01 -0.134442D+02 -0.326432D+01
                16            17            18            19            20 
      1  -0.562243D+00  0.163795D+01 -0.288602D+01 -0.254526D+01 -0.782900D+00
      2  -0.212358D+01  0.103453D+01 -0.564041D+01 -0.233179D+01  0.216385D+01
      3  -0.849233D+00 -0.243909D+01 -0.891225D+00  0.906964D+01 -0.557981D+01
                21            22            23            24            25 
      1  -0.162412D+01  0.283485D+01 -0.105589D+01  0.361209D+01 -0.315445D+01
      2   0.184868D+01  0.674786D+01 -0.158434D+01  0.245139D+01 -0.795310D+01
      3   0.587027D+00  0.515895D+00  0.218479D+01 -0.141994D+01 -0.233638D+01
                26            27            28            29            30 
      1   0.468979D+01 -0.263611D+01  0.130475D+01  0.403529D+01  0.248909D+01
      2   0.955521D+00 -0.160540D+01 -0.600901D+01 -0.222164D+01 -0.540435D+01
      3   0.178299D+01  0.546772D+00 -0.105196D+02  0.297092D+01 -0.136125D+01
                31            32            33            34            35 
      1  -0.187814D-01 -0.885569D+01 -0.685924D+00  0.154997D+00  0.163510D+01
      2   0.263573D+01  0.153088D+01  0.485284D+00 -0.109269D+02  0.525785D+00
      3   0.263073D+01  0.433224D+01 -0.149793D+01 -0.612636D+01 -0.730208D+01
                36            37            38            39            40 
      1   0.728767D+01 -0.311145D+01 -0.738724D+00 -0.466789D+00 -0.131808D+00
      2   0.934165D+01  0.588525D+01  0.303344D+01  0.809649D+00 -0.265038D+01
      3  -0.222304D+01 -0.385605D-01 -0.275673D+00  0.779122D+00  0.668403D+01
                41            42            43            44            45 
      1   0.271703D+01 -0.441234D+01  0.306310D+01  0.386902D+01 -0.320488D+01
      2   0.257747D+01  0.196876D+01 -0.508610D+01  0.115186D+01  0.593843D+01
      3  -0.725242D+01 -0.234125D+01  0.249589D+01 -0.241918D+01 -0.292577D+01
                46            47            48            49            50 
      1   0.287742D+01 -0.592348D+01  0.447299D+00 -0.627032D+01 -0.801136D+01
      2  -0.109763D+02 -0.640975D+01  0.139864D+02 -0.452169D+01  0.168610D+01
      3  -0.545037D+01  0.251893D+00  0.220432D+01  0.465830D+01  0.615280D+01
                51            52            53            54            55 
      1  -0.990444D+01 -0.358472D+00 -0.365854D+01  0.305625D+01  0.125281D+01
      2  -0.237321D+00  0.631284D+01  0.283414D+00  0.268495D+01 -0.224869D+01
      3   0.408895D+01  0.212591D+01  0.323803D+01  0.244348D+00 -0.148292D+02
                56            57            58            59            60 
      1   0.332339D+01 -0.343525D+01  0.804690D+00 -0.199097D+01 -0.339759D+01
      2   0.241365D+00  0.232705D+01 -0.139174D+01 -0.426341D+00 -0.165315D+01
      3  -0.806902D+01 -0.519180D+00  0.594545D+01 -0.373209D+00  0.500345D+00
                61            62            63            64            65 
      1  -0.227717D+01  0.773003D+01  0.110071D+02 -0.403893D+00 -0.324940D+01
      2  -0.149388D+01 -0.144021D+00  0.122813D+01 -0.185442D+01  0.277245D+01
      3  -0.233585D+01 -0.275535D+01  0.380808D+01  0.279969D+01 -0.866822D+01
                66            67            68            69            70 
      1   0.867016D+00  0.817583D+00  0.292365D+01 -0.327159D+01  0.118459D-01
      2   0.971399D+01  0.156125D+01 -0.473252D+01 -0.347009D+01  0.197222D+01
      3  -0.106299D+01  0.133319D+01  0.614594D+01  0.347959D+01  0.382601D+01
                71            72            73            74            75 
      1   0.531356D+01 -0.248132D+01  0.271490D+00 -0.481078D+00  0.269945D+00
      2  -0.372365D+01 -0.142146D+02  0.776268D+00 -0.602634D+00  0.249885D-01
      3   0.753563D+01  0.357932D+01 -0.365381D+00 -0.116745D+00 -0.395894D+00
                76            77            78            79            80 
      1  -0.834382D+00  0.694975D+00 -0.356010D+00  0.518677D+00  0.376006D+01
      2  -0.107684D+01  0.158635D+00 -0.396294D+00 -0.457575D+01 -0.118489D+00
      3   0.174410D+01 -0.240309D+00 -0.145872D+00  0.669352D+00 -0.142948D+00
                81            82            83            84            85 
      1   0.147368D+01 -0.128840D+01  0.116361D+00 -0.630655D+00 -0.399205D+00
      2   0.452284D+00 -0.177704D+01 -0.308913D+00  0.116082D+00 -0.469220D+00
      3   0.506856D-01  0.366392D+01  0.156844D+01  0.114025D+01  0.599985D+01
                86            87            88            89            90 
      1   0.572867D+00 -0.420741D+01 -0.240032D-01  0.509160D+00 -0.348606D+00
      2  -0.159416D+01 -0.138705D+01 -0.209264D+01 -0.171230D+01 -0.467851D+00
      3   0.918296D+01  0.210390D+01  0.218106D+01  0.191842D+01  0.182996D+01
                91            92            93            94            95 
      1   0.343610D+01  0.197349D+01 -0.198407D+01  0.212803D+01  0.195643D+01
      2  -0.547047D+01 -0.282232D+01  0.399284D+01 -0.270455D+01 -0.196576D+01
      3   0.126624D+01 -0.424700D+01 -0.768165D+00  0.232038D-01 -0.244019D+01
                96            97            98            99           100 
      1  -0.951796D+00 -0.178692D+01 -0.680043D+00  0.129693D+01 -0.169330D+01
      2   0.163315D+01  0.306780D+01  0.179771D+01 -0.240949D+01  0.527373D+00
      3   0.311393D-01  0.388904D+00  0.219375D+01 -0.295117D+00 -0.285269D+01
               101           102           103           104           105 
      1  -0.383751D+00  0.512760D+01 -0.359748D+00 -0.190516D+01 -0.555754D+01
      2   0.623781D+00  0.348896D-01  0.464856D+00  0.876835D-01 -0.189005D-01
      3  -0.107319D+01  0.148991D+01  0.395512D+00 -0.776281D+00 -0.552640D-01
               106           107           108           109           110 
      1   0.286072D+01 -0.320255D+01 -0.127799D+02 -0.834624D+00 -0.179815D+01
      2  -0.268890D+01  0.263176D-01 -0.137167D+01  0.275867D+01  0.471774D+00
      3   0.538775D+01 -0.128905D+00 -0.323105D+01  0.182224D+02  0.141972D+01
               111           112           113           114           115 
      1  -0.267423D+01 -0.166125D+01 -0.871809D+00 -0.160916D+01 -0.486762D+00
      2   0.214626D+01  0.804684D+00  0.483346D+00  0.131025D+01 -0.105167D+01
      3  -0.302188D+00  0.497050D+01  0.193703D+01  0.119330D+01 -0.196291D+01
               116           117           118           119           120 
      1   0.249995D+00 -0.480203D+00  0.203829D+01  0.314577D+01  0.123975D+01
      2   0.470556D+00  0.341812D-01  0.339116D+00 -0.540476D+00  0.514749D+00
      3   0.966896D+00  0.107363D+00 -0.601906D+00 -0.302987D+01 -0.105591D+01
               121           122           123           124           125 
      1   0.247898D+01  0.137905D+02  0.266454D+01  0.149069D+01  0.529763D+01
      2  -0.236633D+01  0.202894D+00  0.327535D+01 -0.222910D+01  0.870405D+00
      3   0.127394D+00 -0.839962D+01 -0.227947D+01 -0.609311D+00 -0.199257D+01
               126           127           128           129           130 
      1   0.333829D+01 -0.201856D+00 -0.242067D+01 -0.130921D+01 -0.896386D+00
      2   0.121559D+01  0.161782D+02  0.329589D+01 -0.618251D+01  0.290268D+01
      3  -0.225882D+01  0.560422D+01  0.150640D+00 -0.207869D+01  0.235018D+01
               131           132           133           134           135 
      1   0.626024D-02  0.373550D+00 -0.358008D+00  0.256484D+01  0.524963D+00
      2   0.227648D+01 -0.178356D+01 -0.837374D+01 -0.194464D+01  0.555376D+01
      3   0.697728D+00 -0.158479D+01 -0.195536D+01 -0.466576D+00  0.199486D+01
               136           137           138           139           140 
      1  -0.267350D+01  0.469096D+01  0.431062D+00  0.358311D+01 -0.468857D+01
      2  -0.405469D+01  0.258124D+01  0.118180D+01  0.399063D+01 -0.135690D+01
      3  -0.200203D+00 -0.328597D+01  0.303873D+00  0.262541D+00  0.333042D+01
               141           142           143           144           145 
      1   0.563277D+00 -0.623200D+00  0.287732D+01 -0.572317D+00 -0.197380D+00
      2  -0.148143D+01 -0.279696D+01  0.132565D+00  0.354599D+00 -0.237994D+01
      3  -0.214583D+01 -0.538278D+00 -0.192001D+01  0.790994D+00  0.712027D+00
               146           147           148           149           150 
      1  -0.141886D+00 -0.394272D-01 -0.567888D+00 -0.347026D+00 -0.196349D+00
      2  -0.104863D+00  0.276838D+00 -0.287232D+00 -0.124175D+01 -0.983229D+00
      3  -0.129470D+01  0.319163D+00 -0.989465D+00 -0.661320D+00  0.200949D+01
               151           152           153           154           155 
      1   0.528945D+00  0.391079D+01 -0.289276D+01 -0.112961D+01 -0.186289D+01
      2  -0.468132D+00 -0.707972D+00 -0.244419D+02  0.282001D+01  0.170109D+01
      3   0.528665D+00  0.310644D+01  0.332816D+00 -0.479767D+01 -0.702718D+01
               156           157           158           159           160 
      1  -0.879929D+00 -0.191590D+01 -0.410541D+01 -0.255318D+01 -0.341474D+00
      2   0.243116D+01  0.155599D+01  0.432240D+01  0.450943D+01  0.110186D+01
      3  -0.485213D+00 -0.423447D+01 -0.191573D+02 -0.234154D+01 -0.448420D+00
               161           162           163           164           165 
      1   0.278468D+00 -0.105341D+01  0.278370D+01 -0.204202D+01  0.160902D+01
      2   0.234395D+01  0.648929D+00  0.689708D+01 -0.381285D+01  0.520772D+01
      3  -0.436039D+01 -0.215398D+01  0.485214D+01 -0.874189D+01  0.834478D+00
               166           167           168           169           170 
      1  -0.222833D+01  0.216869D+01 -0.290126D+01  0.861681D+00 -0.438868D+00
      2  -0.421368D+01  0.447011D+01 -0.474206D+01  0.361739D+01 -0.270849D+01
      3  -0.603953D+01  0.803291D+01 -0.191910D+01  0.113908D+01 -0.356960D+01
               171 
      1   0.941622D+00
      2   0.158977D+01
      3   0.170543D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.577986D-01  0.133440D+02 -0.185677D+02  0.144328D+02 -0.285437D+02
      2  -0.669187D+01 -0.475812D+01  0.849372D+01 -0.455802D+01  0.874613D+01
      3   0.663407D+01 -0.858592D+01  0.100740D+02 -0.987478D+01  0.197976D+02
      4   0.174863D+02 -0.243800D+02  0.303876D+01 -0.350851D+02 -0.108920D+02
      5  -0.199215D+02 -0.606209D+00  0.691256D+01 -0.159276D+01 -0.796580D+01
      6   0.737340D+00  0.267633D+01 -0.971950D+00  0.234813D+01  0.400657D+01
                 6             7             8             9            10 
      1  -0.437828D+00 -0.235715D+02  0.286944D+01  0.129054D+02 -0.112048D+02
      2   0.131595D+01  0.764401D+01  0.161344D+00  0.908943D+01  0.511102D+00
      3  -0.878119D+00  0.159275D+02 -0.303079D+01 -0.219948D+02  0.106937D+02
      4  -0.100138D+02  0.588629D+01 -0.131343D+02  0.240742D+01 -0.596375D+01
      5   0.860511D+00  0.241267D+01  0.150983D+01  0.320374D+02  0.174621D+02
      6   0.149691D+01  0.484280D+00  0.205217D+01 -0.789989D+01 -0.532360D+01
                11            12            13            14            15 
      1  -0.242609D+01  0.145494D+02 -0.304371D+01  0.202349D+02  0.416855D+01
      2   0.333118D+00 -0.100487D+02  0.398454D+00 -0.231898D+02 -0.645927D+01
      3   0.209297D+01 -0.450066D+01  0.264525D+01  0.295491D+01  0.229072D+01
      4   0.889515D+01 -0.265703D+01  0.212701D+02  0.351895D+01  0.527040D+01
      5   0.453195D+00 -0.228683D+01  0.602446D+00  0.558837D+01  0.389129D-01
      6   0.257235D+00  0.606516D+00  0.106736D+01 -0.107893D+02  0.432707D+01
                16            17            18            19            20 
      1   0.193295D+02  0.720062D+00  0.272975D+01 -0.508695D+01 -0.175523D+01
      2  -0.921880D+01 -0.375652D+01 -0.212195D+01  0.917582D+01 -0.391217D+01
      3  -0.101107D+02  0.303646D+01 -0.607804D+00 -0.408887D+01  0.566739D+01
      4  -0.560621D+01  0.533000D+01  0.156894D+01 -0.303648D+01 -0.217977D+01
      5  -0.125027D+01  0.184829D+01 -0.138341D+02 -0.567214D+01 -0.124924D+01
      6  -0.380156D+00 -0.291594D+01  0.485702D+01  0.160384D+01  0.137635D+01
                21            22            23            24            25 
      1  -0.296358D+01  0.363971D+01  0.903292D+00  0.656713D+00 -0.974548D+01
      2   0.516854D+01 -0.518576D+01 -0.218585D+01  0.465838D+01  0.516661D+01
      3  -0.220496D+01  0.154605D+01  0.128256D+01 -0.531509D+01  0.457888D+01
      4   0.725600D+00 -0.146102D+02  0.331335D+01 -0.268990D+01  0.443213D+01
      5   0.130929D+01  0.163347D+01  0.459244D+00  0.526503D+01  0.312987D+01
      6  -0.593843D+00 -0.413544D+01  0.579621D+01 -0.968279D+01 -0.155698D+01
                26            27            28            29            30 
      1   0.867171D+01  0.852357D+01 -0.540623D+01  0.113844D+02 -0.464548D+00
      2  -0.478793D+01  0.191564D+02  0.303326D+01 -0.826088D+01 -0.344789D+01
      3  -0.388378D+01 -0.276799D+02  0.237297D+01 -0.312353D+01  0.391244D+01
      4   0.978271D+00 -0.211879D+01  0.107827D+02 -0.712381D+01 -0.879630D+01
      5  -0.926277D+00  0.116674D+01  0.704026D+01 -0.785584D+01 -0.128171D+02
      6   0.667738D+01 -0.224136D+01 -0.581345D+01  0.186458D+01 -0.271789D+01
                31            32            33            34            35 
      1   0.179714D+02  0.590812D+01 -0.514646D+01  0.172162D+02 -0.239868D+01
      2  -0.955009D+01 -0.707342D+01  0.911723D+01 -0.948591D+01 -0.362520D+01
      3  -0.842135D+01  0.116530D+01 -0.397077D+01 -0.773033D+01  0.602388D+01
      4  -0.216666D+01 -0.161820D+01 -0.162817D+01 -0.106518D+02  0.772720D+01
      5  -0.174025D+02 -0.976906D+00 -0.327409D+01 -0.120171D+02  0.374890D+00
      6  -0.345953D+01 -0.644816D+01 -0.232696D+01 -0.967938D+00 -0.179473D+01
                36            37            38            39            40 
      1  -0.804312D+01 -0.193306D+02 -0.100766D+02  0.753465D+01 -0.977083D+01
      2   0.555511D+01  0.370246D+01  0.413095D+01 -0.458041D+01  0.403229D+01
      3   0.248801D+01  0.156281D+02  0.594561D+01 -0.295424D+01  0.573854D+01
      4   0.328738D+01 -0.171958D+02 -0.584704D+01  0.670260D+01  0.311403D+01
      5   0.150823D+02  0.783968D+01  0.400834D+01  0.764678D+01  0.841856D+01
      6  -0.573424D+01  0.574475D+01  0.219585D+01  0.163970D+01  0.624616D+01
                41            42            43            44            45 
      1  -0.174552D+02 -0.805631D+00  0.126873D+02  0.132719D+01 -0.386880D+01
      2   0.216914D+02  0.233048D+00 -0.513522D+01  0.275402D+01 -0.383784D+01
      3  -0.423623D+01  0.572583D+00 -0.755210D+01 -0.408121D+01  0.770664D+01
      4   0.137414D+02  0.803828D+01  0.146672D+02  0.115829D+02  0.556463D+01
      5   0.821621D+01  0.790774D+01  0.125063D+02  0.862292D+01  0.151371D+02
      6   0.873966D+01  0.965044D+01  0.380703D+01  0.101138D+02  0.923963D+01
                46            47            48            49            50 
      1   0.133213D+02  0.674620D+01 -0.122157D+02  0.522855D+01 -0.433526D+01
      2  -0.143397D+01 -0.870452D-01  0.334629D+01  0.401535D+00  0.102696D+02
      3  -0.118873D+02 -0.665915D+01  0.886937D+01 -0.563009D+01 -0.593437D+01
      4   0.654602D+01 -0.145413D+02  0.946497D+01 -0.168155D+02 -0.199871D+01
      5  -0.697696D+01  0.105460D+02 -0.113956D+02  0.826713D+01 -0.194590D+02
      6   0.168859D+02 -0.118257D+02  0.108778D+00 -0.134855D+02 -0.506154D+01
                51            52            53            54            55 
      1   0.925726D+00 -0.102793D+02 -0.585655D+00 -0.771682D+01  0.123085D+01
      2   0.423241D+01  0.229730D+01  0.246321D+01 -0.639612D+01 -0.353716D+01
      3  -0.515814D+01  0.798204D+01 -0.187756D+01  0.141129D+02  0.230632D+01
      4  -0.126656D+02  0.744619D+01 -0.852278D+01 -0.282140D-01 -0.188946D+02
      5   0.966005D+00 -0.127319D+02 -0.617126D+00  0.110882D+02  0.625572D+01
      6  -0.153102D+02  0.258114D+00 -0.111702D+02 -0.381355D+00 -0.151738D+01
                56            57            58            59            60 
      1  -0.292294D+01  0.306427D+01 -0.324496D+01 -0.229216D+02  0.384045D+01
      2   0.104920D+00 -0.267319D+01  0.142820D+01  0.336979D+02 -0.726606D+01
      3   0.281802D+01 -0.391076D+00  0.181676D+01 -0.107763D+02  0.342561D+01
      4  -0.118722D+01 -0.256995D+01  0.307530D+01 -0.458792D+01  0.218137D+00
      5  -0.138686D+01  0.435501D+01 -0.294872D+00 -0.968089D+00 -0.380923D+01
      6  -0.297746D+01  0.559778D+01  0.635462D+00 -0.684298D+01  0.723537D+01
                61            62            63            64            65 
      1   0.144544D+01  0.533311D+01 -0.337498D+00  0.343892D+02 -0.971084D+01
      2  -0.468354D+01 -0.101284D+01 -0.660143D+01 -0.187571D+02  0.387601D+01
      3   0.323810D+01 -0.432027D+01  0.693893D+01 -0.156321D+02  0.583483D+01
      4  -0.229869D+01 -0.114976D+01  0.330011D+01 -0.154388D+02  0.163413D+02
      5   0.270320D+01  0.185436D+00  0.162298D+01 -0.175917D+02  0.779718D+01
      6   0.300290D+01  0.101593D+00 -0.186811D+02  0.250382D+01 -0.348223D+01
                66            67            68            69            70 
      1  -0.885607D+01 -0.152706D+02  0.725515D+00  0.164153D+01 -0.157022D+02
      2   0.928314D+01  0.644443D+01  0.520301D+01 -0.266026D+01  0.106441D+02
      3  -0.427070D+00  0.882614D+01 -0.592853D+01  0.101872D+01  0.505812D+01
      4   0.798641D+01  0.156430D+02 -0.164386D+02 -0.886113D+01  0.556814D+01
      5   0.191094D+02  0.816058D+01 -0.900257D+01 -0.661558D+01  0.222392D+02
      6  -0.177409D+01 -0.432333D+01  0.328920D+01  0.768264D+01 -0.332698D+01
                71            72            73            74            75 
      1  -0.382674D+00  0.279830D+01  0.129445D+01  0.387618D+00  0.103606D+00
      2   0.477266D+00 -0.147113D+02 -0.537156D+01  0.578182D+00  0.181158D-01
      3  -0.945919D-01  0.119130D+02  0.407711D+01 -0.965800D+00 -0.121722D+00
      4  -0.130508D+02 -0.103506D+02 -0.208305D+00  0.185573D+01 -0.304804D+00
      5  -0.837956D+01 -0.298907D+02  0.712257D-01  0.518254D+00  0.682435D+01
      6   0.736554D+01  0.421082D+01 -0.240946D+00  0.314569D+00 -0.393656D+00
                76            77            78            79            80 
      1   0.107436D+01 -0.401534D+01 -0.114790D+01  0.112905D+01 -0.134575D+00
      2   0.257283D+00 -0.733790D+00 -0.301705D+01  0.403873D+00 -0.475015D+01
      3  -0.133165D+01  0.474913D+01  0.416495D+01 -0.153292D+01  0.488472D+01
      4   0.270931D+01 -0.236337D+00  0.702172D+00 -0.432178D-01 -0.259207D+00
      5   0.441483D+00  0.125317D-01 -0.680508D+00  0.541723D+01 -0.911974D-01
      6   0.102022D+01  0.634240D+00  0.811795D+01  0.942890D+00  0.464789D+01
                81            82            83            84            85 
      1  -0.203231D+02 -0.346104D+00 -0.376143D+01 -0.263851D+01 -0.559900D+01
      2  -0.208909D+02  0.411553D+01  0.503824D+01  0.239694D+01  0.573416D+01
      3   0.412140D+02 -0.376943D+01 -0.127681D+01  0.241568D+00 -0.135166D+00
      4   0.940150D+00  0.105297D+01  0.435701D+01  0.766115D+00  0.267903D+01
      5   0.154502D+00 -0.170860D+01  0.683965D+00  0.118076D+01  0.114084D+01
      6  -0.856188D+00  0.169561D+01  0.203465D+01  0.662509D+00  0.133699D+01
                86            87            88            89            90 
      1  -0.204187D+02 -0.256468D+01 -0.418240D+01 -0.433541D+01 -0.526731D+01
      2   0.322052D+02  0.579857D+01  0.264787D+01  0.426188D+01  0.299022D+01
      3  -0.117866D+02 -0.323388D+01  0.153453D+01  0.735266D-01  0.227710D+01
      4  -0.104804D+02 -0.199777D+01  0.286131D+00 -0.249324D+01 -0.162372D+01
      5  -0.248792D+01 -0.346867D+01  0.254129D+01 -0.221784D+01 -0.643282D-01
      6   0.858019D+01  0.705167D+01  0.141167D+01  0.961200D+01  0.476964D+01
                91            92            93            94            95 
      1   0.398590D+02  0.160138D+02 -0.202353D+01  0.668712D+01  0.529379D+01
      2  -0.138419D+02 -0.305301D+01 -0.148172D+00  0.123922D+01  0.287796D+01
      3  -0.260172D+02 -0.129608D+02  0.217170D+01 -0.792634D+01 -0.817175D+01
      4   0.303377D+02  0.202432D+02 -0.528600D+00  0.146468D+02  0.138573D+02
      5   0.337633D+01  0.197470D+01  0.550865D+01  0.770606D+00  0.109335D+01
      6  -0.827208D+00  0.415848D+00  0.242663D+01  0.529369D+00  0.493051D+00
                96            97            98            99           100 
      1  -0.515936D+00 -0.118817D+02 -0.549219D+01  0.358288D+01  0.212810D+00
      2  -0.257000D+00  0.361092D+01  0.444117D+00 -0.143445D+01  0.780627D-01
      3   0.772936D+00  0.827075D+01  0.504808D+01 -0.214842D+01 -0.290873D+00
      4  -0.331030D+00 -0.107532D+02 -0.754189D+01  0.463510D+01 -0.172531D+01
      5   0.220889D+01  0.600815D+01  0.323946D+01 -0.185418D+01 -0.854217D+00
      6   0.198936D+01  0.365155D+01  0.272602D+01 -0.157365D+01  0.234727D+01
               101           102           103           104           105 
      1   0.419465D+01 -0.315305D+00  0.881931D+00 -0.483284D+01 -0.256109D+01
      2  -0.608010D+01 -0.123028D+01 -0.142609D+01  0.728310D+01  0.357877D+01
      3   0.188545D+01  0.154558D+01  0.544162D+00 -0.245026D+01 -0.101768D+01
      4   0.263035D+01  0.164119D+01  0.266822D+01 -0.143936D+01 -0.437642D+00
      5   0.785029D-01  0.662683D+00  0.447958D+00 -0.510688D+00  0.287136D+00
      6   0.784075D+00 -0.743176D+01 -0.339931D+00  0.316751D+01  0.103278D+02
               106           107           108           109           110 
      1   0.771030D+00 -0.749375D+01 -0.851251D+01  0.583347D+01 -0.247936D+01
      2   0.627973D-01  0.843835D+01  0.576137D+01  0.421704D+01  0.906243D+01
      3  -0.833828D+00 -0.944606D+00  0.275114D+01 -0.100505D+02 -0.658307D+01
      4   0.410207D+01 -0.743804D+00 -0.374882D+01  0.219864D+02  0.144465D+02
      5   0.129702D+01 -0.677487D+00 -0.430731D+00 -0.438054D+01 -0.724170D+00
      6  -0.464605D+01  0.109015D+02  0.176697D+02 -0.183618D+01 -0.266154D+00
               111           112           113           114           115 
      1  -0.140831D+01  0.122202D+01 -0.111984D+01  0.349726D+00 -0.227299D+01
      2   0.142173D+01  0.356706D+01  0.671440D+01 -0.411533D+00  0.293083D+01
      3  -0.134224D-01 -0.478908D+01 -0.559457D+01  0.618074D-01 -0.657838D+00
      4  -0.774892D+00  0.133186D+02  0.787132D+01  0.207684D+01 -0.150446D+01
      5   0.248305D+01 -0.394175D+00  0.914609D-01  0.156405D+01  0.361889D+01
      6   0.298696D+01  0.147483D+01 -0.462041D+00  0.323032D+01  0.776220D+00
               116           117           118           119           120 
      1   0.823314D+00 -0.953248D+00  0.217517D+01  0.215390D+01  0.197109D+01
      2  -0.636450D-01  0.594342D+00 -0.320145D+01 -0.252646D+01 -0.320387D+01
      3  -0.759669D+00  0.358906D+00  0.102628D+01  0.372560D+00  0.123279D+01
      4   0.161842D+01  0.120603D+01  0.360594D+01  0.690019D+01  0.148584D+01
      5   0.443836D+00 -0.942704D+00  0.606898D+01  0.407076D+01  0.775192D+01
      6   0.402489D+01 -0.643377D+00  0.198453D+01  0.538165D+01  0.191038D+01
               121           122           123           124           125 
      1   0.350510D+01 -0.269963D+01 -0.475335D+01  0.662228D+00 -0.287925D+01
      2  -0.418155D+01 -0.818822D+00 -0.681574D+01 -0.212361D+01 -0.344994D+01
      3   0.676454D+00  0.351845D+01  0.115691D+02  0.146139D+01  0.632919D+01
      4   0.653673D+01  0.134197D+02  0.689192D+01  0.647604D+00  0.471663D+01
      5   0.747803D+01  0.106695D+02  0.107398D+02  0.584636D+01  0.558086D+01
      6   0.583095D+01  0.184750D+02  0.105134D+02  0.226258D+01  0.987874D+01
               126           127           128           129           130 
      1  -0.417005D+01 -0.968492D+01 -0.559251D+01  0.133013D+02 -0.414151D+01
      2  -0.411569D+01  0.391819D+00  0.227075D+01  0.239241D+01  0.226110D+01
      3   0.828574D+01  0.929310D+01  0.332176D+01 -0.156937D+02  0.188041D+01
      4   0.396956D+01  0.558477D+01  0.343617D+01 -0.372120D+01  0.441772D+01
      5   0.621529D+01 -0.124167D+02 -0.383427D+01  0.582872D+01 -0.372960D+01
      6   0.640034D+01 -0.743706D+01 -0.570804D+01  0.740410D+01 -0.342334D+01
               131           132           133           134           135 
      1  -0.438297D+01  0.412054D+01  0.928073D+01  0.367579D+01 -0.113382D+02
      2   0.194826D+01 -0.127037D+01  0.170781D+01 -0.593392D+00 -0.450989D+01
      3   0.243471D+01 -0.285017D+01 -0.109885D+02 -0.308239D+01  0.158481D+02
      4   0.172255D+01  0.362451D+00 -0.261338D+01 -0.666570D-01  0.222495D+01
      5   0.237530D+00  0.681472D+00  0.871022D+01  0.156038D+01 -0.512768D+01
      6  -0.409393D+01  0.725465D+01  0.448075D+01  0.619573D+01 -0.615282D+01
               136           137           138           139           140 
      1   0.114187D+02 -0.418750D+01  0.228414D+01 -0.480274D+01 -0.218305D+01
      2  -0.754404D+01  0.461172D+00 -0.584399D+01  0.459257D+00  0.544356D+01
      3  -0.387461D+01  0.372632D+01  0.355984D+01  0.434348D+01 -0.326051D+01
      4  -0.158817D+02  0.145705D+02 -0.909569D+01  0.154108D+02 -0.158631D+02
      5   0.200402D+02 -0.123572D+02  0.170076D+02 -0.133777D+02  0.136645D+02
      6  -0.118846D+02  0.118839D+02 -0.921024D+01  0.113923D+02 -0.152726D+02
               141           142           143           144           145 
      1   0.333685D+01  0.144739D+01  0.235959D+01 -0.222253D+01  0.125963D+01
      2   0.105654D+01 -0.438050D+01  0.104237D+01 -0.447932D+01 -0.281189D+01
      3  -0.439339D+01  0.293311D+01 -0.340195D+01  0.670185D+01  0.155226D+01
      4   0.992732D+01 -0.550819D+01  0.617833D+01 -0.748144D+01 -0.137506D+01
      5  -0.116930D+02  0.123639D+02 -0.804375D+01  0.117318D+02 -0.326100D+01
      6   0.136040D+02 -0.679456D+01  0.101343D+02 -0.979221D+01  0.727355D+00
               146           147           148           149           150 
      1  -0.144155D+01 -0.469996D+01 -0.187422D+01  0.832626D+00 -0.132692D+01
      2   0.442752D+00  0.254253D+01  0.529434D+00 -0.121006D+01  0.616979D+00
      3   0.998803D+00  0.215742D+01  0.134479D+01  0.377435D+00  0.709941D+00
      4   0.287672D+01  0.232787D+00  0.559017D+01 -0.188839D+00 -0.408195D+01
      5   0.116454D+00  0.626811D+01  0.775958D+00 -0.384476D+01 -0.141831D+01
      6   0.462476D-01  0.624804D+00 -0.146691D+01  0.147872D+01  0.677915D+01
               151           152           153           154           155 
      1  -0.778417D+01 -0.105810D+01 -0.129255D+02  0.161011D+02  0.909032D+01
      2   0.865008D+01  0.203297D+00 -0.203882D+02 -0.536943D+01 -0.290716D+01
      3  -0.865918D+00  0.854800D+00  0.333137D+02 -0.107317D+02 -0.618317D+01
      4   0.106142D+01 -0.547540D+01 -0.256163D+01  0.960089D+01  0.158475D+02
      5   0.156735D+02 -0.186089D+01 -0.465769D+02  0.112104D+01  0.388461D+00
      6  -0.216427D+01  0.661812D+01  0.839275D+01 -0.100015D+01 -0.251216D+01
               156           157           158           159           160 
      1   0.281179D+01  0.186574D+02  0.115115D+02  0.437849D+00  0.885888D+01
      2  -0.813145D+00 -0.801823D+01  0.268302D+01  0.130776D+01 -0.384227D+01
      3  -0.199865D+01 -0.106392D+02 -0.141945D+02 -0.174561D+01 -0.501661D+01
      4   0.129881D+01  0.193727D+02  0.301520D+02  0.303478D+01  0.293484D+01
      5   0.323349D+01 -0.199591D+01  0.318474D+01  0.776988D+01  0.404880D+01
      6   0.404819D+00 -0.154174D+01 -0.511957D+01  0.164809D+01  0.119230D+01
               161           162           163           164           165 
      1   0.197046D+01  0.639463D+00  0.444949D+02 -0.184694D+02  0.515281D+01
      2   0.103477D+00 -0.190645D+01 -0.169591D+02  0.504063D+01 -0.138369D+01
      3  -0.207393D+01  0.126699D+01 -0.275358D+02  0.134287D+02 -0.376912D+01
      4   0.663894D+01  0.435924D+01 -0.268952D+02  0.219686D+02 -0.287721D+01
      5   0.498530D+01  0.243863D+00  0.972699D+00 -0.604567D+00  0.710169D+01
      6   0.171352D+01  0.127174D+01  0.165018D+01 -0.245960D+01 -0.127954D+01
               166           167           168           169           170 
      1  -0.257987D+02  0.147585D+02 -0.156307D+01  0.142821D+02 -0.433533D+01
      2   0.665890D+01  0.192791D+01 -0.106847D+01 -0.520629D+01  0.345346D+00
      3   0.191398D+02 -0.166864D+02  0.263155D+01 -0.907581D+01  0.398999D+01
      4   0.286666D+02 -0.234842D+02  0.364961D+01 -0.805287D+01  0.766710D+01
      5   0.650394D+00  0.199831D+01 -0.733003D+01  0.792425D+01 -0.516840D+01
      6  -0.224116D+01  0.144717D+01  0.309560D+01 -0.206467D+01  0.222755D+01
               171 
      1   0.337642D+01
      2  -0.287634D+01
      3  -0.500074D+00
      4  -0.555028D+01
      5   0.170601D+01
      6  -0.838112D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.604592D+00      0.153672D+01      0.512594D+01
   y         -0.648839D+00     -0.164919D+01     -0.550109D+01
   z         -0.552847D-01     -0.140520D+00     -0.468724D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.822684D+02      0.121909D+02      0.135642D+02
   yx         0.708673D+00      0.105015D+00      0.116844D+00
   yy         0.716521D+02      0.106177D+02      0.118138D+02
   zx        -0.279313D+01     -0.413898D+00     -0.460524D+00
   zy         0.252988D+01      0.374890D+00      0.417121D+00
   zz         0.699315D+02      0.103628D+02      0.115301D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.820786D+02      0.121628D+02      0.135329D+02
   aniso      0.139166D+02      0.206223D+01      0.229454D+01
   xx         0.904416D+02      0.134021D+02      0.149118D+02
   yx         0.368679D+00      0.546327D-01      0.607870D-01
   yy         0.791098D+02      0.117229D+02      0.130434D+02
   zx        -0.253512D+01     -0.375666D+00     -0.417985D+00
   zy         0.201741D+01      0.298949D+00      0.332626D+00
   zz         0.766845D+02      0.113635D+02      0.126436D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.86226565          1.26513217          3.58459217
     6          0.45728691          0.54899311          2.15539016
     6          1.13324831         -0.53641276         -0.50075621
     6         -1.23908976         -1.57726423         -1.71160786
     8         -1.95896519         -3.78688209         -0.65227171
     6         -1.37545119          2.77427411          2.01174806
     7          2.31371840          1.19192717         -2.27462878
     8         -2.43033892         -0.56524136         -3.36385055
     1          2.39832729         -2.13975496         -0.17962232
     1         -0.45521485         -0.99158164          3.18819802
     1         -3.52678812         -4.28334591         -1.46217920
     1          0.98993673          2.25459485         -3.15767131
     1          3.57315121          2.34004742         -1.41283401
     1         -0.54095941          4.35578203          0.98180569
     1         -3.13539721          2.26948058          1.06475661
     1         -1.84202862          3.44108070          3.90631371
     1          4.16971419         -0.32612988          3.70913674
     1          3.84871799          2.83518010          2.67392913
     1          2.40937100          1.86981734          5.50335310

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.888583D+00      0.225855D+01      0.753372D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.740583D+02      0.109743D+02      0.122106D+02
   yx         0.426659D+01      0.632243D+00      0.703465D+00
   yy         0.734714D+02      0.108873D+02      0.121138D+02
   zx         0.613267D+01      0.908769D+00      0.101114D+01
   zy         0.112647D+01      0.166925D+00      0.185729D+00
   zz         0.763224D+02      0.113098D+02      0.125839D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.820786D+02      0.121628D+02      0.135329D+02
   aniso      0.139166D+02      0.206223D+01      0.229454D+01
   xx         0.813825D+02      0.120596D+02      0.134182D+02
   yx         0.459350D+01      0.680686D+00      0.757365D+00
   yy         0.804754D+02      0.119252D+02      0.132686D+02
   zx         0.598716D+01      0.887205D+00      0.987149D+00
   zy         0.185475D+01      0.274845D+00      0.305806D+00
   zz         0.843780D+02      0.125035D+02      0.139121D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-13\Freq\RB3LYP\Gen\C5H11N1O2\PIERPA\12-Aug-2021\0\\#P
  B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSym
 m,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calcula
 tions.\\0,1\C,2.41225,-0.293817,-0.659732\C,1.052491,-0.579308,-0.0234
 78\C,-0.027034,0.388733,-0.598813\C,-1.390463,-0.046113,-0.10697\O,-1.
 821402,-1.161736,-0.736457\C,1.133559,-0.529563,1.500987\N,0.135122,1.
 799703,-0.297606\O,-2.020824,0.489404,0.767388\H,-0.021936,0.253255,-1
 .684416\H,0.747954,-1.585935,-0.324216\H,-2.672285,-1.401673,-0.337129
 \H,-0.2396,2.012406,0.618715\H,1.104748,2.081912,-0.335804\H,1.429701,
 0.463432,1.845535\H,0.179505,-0.772294,1.970784\H,1.877624,-1.240196,1
 .864259\H,2.361305,-0.338696,-1.74945\H,2.788843,0.693074,-0.378253\H,
 3.151277,-1.024146,-0.326187\\Version=ES64L-G16RevA.03\State=1-A\HF=-4
 02.5697237\RMSD=3.706e-09\RMSF=1.040e-05\ZeroPoint=0.1641711\Thermal=0
 .1736698\Dipole=0.6045919,-0.6488395,-0.0552847\DipoleDeriv=-0.0182042
 ,-0.0003907,0.0308717,0.0651924,0.1064877,0.0132319,-0.0031185,0.03481
 86,0.0653599,0.1417394,0.0059346,-0.0254561,-0.1220033,0.0006465,0.022
 0679,0.0298583,-0.0007019,0.1298163,-0.1237674,0.0145914,0.1257119,-0.
 0219497,0.5235094,-0.0174905,0.1243731,0.0999895,0.1812757,1.1962555,0
 .1812636,-0.1757442,0.3986784,1.1039825,0.6171707,-0.2834047,0.6561643
 ,0.8781353,-0.5646672,-0.3380666,-0.2328491,-0.319624,-0.9357223,-0.38
 84083,-0.141783,-0.2954713,-0.5061564,0.020468,0.0200382,0.0141273,0.0
 33407,0.0909875,0.0388091,0.0016072,-0.0031365,-0.0379662,-0.3496851,0
 .0831105,-0.0942417,0.139456,-0.7647253,0.0623278,-0.0702062,0.1404054
 ,-0.3509285,-0.8087402,0.1475618,0.2979008,-0.0583189,-0.6314627,-0.21
 45315,0.2463292,-0.358045,-0.7081108,0.03592,0.0153733,-0.0053694,-0.0
 203075,-0.0103211,-0.0196652,-0.0054771,-0.0562254,-0.1217289,0.009404
 5,-0.0390297,-0.0119661,-0.0405373,-0.1273348,-0.0372983,-0.0079563,-0
 .0352018,-0.0180419,0.2697515,0.0167475,0.0637809,0.0466311,0.3223625,
 -0.0166165,0.1005685,-0.0026097,0.2560044,0.2407332,-0.0496637,0.01942
 3,-0.0523813,0.2327689,0.0194545,0.0193333,-0.0653055,0.0700203,0.0308
 238,-0.0832252,0.0149939,-0.0369755,0.2464672,-0.0621568,-0.003616,-0.
 1191875,0.2061153,0.0492006,-0.0506937,-0.0104092,-0.0679904,-0.101130
 6,-0.088029,0.005006,-0.0174557,0.0286839,-0.0763643,-0.0521079,0.0960
 572,-0.0440653,0.0558679,0.0058543,0.0666525,0.0066716,-0.0045895,-0.0
 442829,0.101635,-0.0779573,0.1013269,-0.024448,0.0608637,-0.0495269,0.
 0310961,0.019888,0.0394828,-0.0134107,-0.0278606,-0.0121725,0.0635206,
 -0.0005413,0.0318671,-0.0022485,-0.1625999,0.033497,-0.0326344,0.01320
 27,-0.0992974,-0.1211813,-0.0354874,-0.016156,-0.0698842,0.0322027,-0.
 0815649,0.0729669,-0.0142156,0.1109313,-0.0302747,0.0404449,-0.0443506
 ,0.0563274,0.0426201\Polar=82.2684465,0.708673,71.6520698,-2.7931254,2
 .5298829,69.9314743\Quadrupole=1.8639619,-0.5040087,-1.3599533,4.39875
 8,1.215239,0.417114\PG=C01 [X(C5H11N1O2)]\NImag=0\\0.48341041,-0.01981
 424,0.55582090,0.04182070,0.00499664,0.55581666,-0.15634472,-0.0199486
 6,0.03616074,0.46247095,-0.02211539,-0.08347554,0.00760782,0.05725000,
 0.54572019,0.03785044,0.00745232,-0.09395347,0.00470091,0.04575499,0.4
 7610600,-0.03215910,0.02391344,-0.01019845,-0.10252749,0.00794283,-0.0
 1169292,0.44660194,0.00292400,0.00440454,-0.00333495,0.02275901,-0.086
 94047,0.00913243,0.04928896,0.46825694,0.00662971,-0.00679283,0.004094
 43,-0.02156744,0.01114164,-0.08496800,-0.03650689,0.06045341,0.5861944
 0,-0.00031584,-0.00027204,0.00024902,-0.03355331,0.01067690,0.00179065
 ,-0.14953117,-0.03621443,0.02310867,0.64235820,0.00384656,-0.00619308,
 0.00285296,0.01716818,0.01426165,-0.00982688,-0.02678656,-0.08762213,0
 .01867563,0.00002745,0.53139381,-0.00193555,0.00337761,-0.00324515,-0.
 01064772,-0.01043911,0.00942183,0.01728972,0.02254169,-0.09251324,-0.2
 7137394,0.24289219,0.61632130,-0.00007877,0.00011991,-0.00089513,-0.00
 093629,-0.00166493,0.00057958,-0.01303646,-0.03354064,-0.01173520,-0.1
 3701688,-0.07003981,-0.00917576,0.49562092,-0.00055109,0.00202754,-0.0
 0075162,-0.00014470,-0.00618161,0.00126976,-0.01560810,-0.01232095,-0.
 01076995,-0.05297511,-0.19100127,-0.06998805,0.17143982,0.30840523,0.0
 0010935,-0.00005563,0.00007970,0.00108480,-0.00007494,0.00002012,0.002
 61531,0.00172222,0.00882009,0.00593026,-0.05704021,-0.11501592,-0.1735
 7831,0.10599405,0.24849584,-0.00015965,0.00107703,0.03403210,-0.079413
 93,-0.00123882,-0.00644549,-0.00389159,-0.00043178,-0.02509533,0.00147
 934,0.00098624,-0.00404361,-0.00040807,-0.00058020,0.00051337,0.576612
 45,-0.00053309,0.00054910,0.00814458,-0.00129243,-0.08155930,-0.007160
 19,0.00338480,0.00171237,0.02233713,-0.00145580,-0.00160121,0.00000940
 ,0.00012757,0.00110696,0.00017221,-0.00223008,0.56270165,0.00573721,0.
 00008394,-0.02216596,-0.00289315,-0.00803436,-0.17887696,-0.00668125,0
 .00593756,-0.01623351,-0.00155110,0.00053878,0.00185208,0.00038837,-0.
 00027245,-0.00024082,-0.01068630,-0.00596241,0.46271325,0.00029338,-0.
 00055687,0.00030685,0.00748820,0.01982469,0.00632110,-0.08824570,-0.03
 254709,0.01995645,-0.01007283,-0.03512689,-0.00336629,-0.00739376,-0.0
 0442946,0.00107029,-0.00039989,-0.00126160,-0.00052415,0.58617847,-0.0
 0203332,0.00059167,0.00055371,-0.00031213,-0.03680049,-0.00344809,-0.0
 0770778,-0.19784194,-0.01862059,-0.01121079,-0.02378587,-0.00234224,-0
 .00169153,0.00016010,0.00148861,-0.00038371,0.00066707,-0.00184047,0.1
 2931321,0.39706565,0.00010101,-0.00048194,0.00015717,0.00168349,0.0074
 2679,0.00472363,0.01710676,-0.06007513,-0.09007433,-0.00154014,0.00777
 357,0.00132916,0.00261330,0.00185435,0.00113163,-0.00022064,-0.0000486
 3,-0.00007474,-0.17665080,0.15335361,0.46734805,-0.00090937,0.00131643
 ,-0.00100408,0.00181372,-0.00356440,0.00203201,-0.01570768,0.01450296,
 0.03991284,-0.29623166,0.12412943,0.25021532,0.03623496,0.00831785,0.0
 0204045,-0.00042494,0.00073261,0.00005851,-0.00029238,0.00123678,0.001
 46110,0.28558509,-0.00060788,0.00095710,-0.00044731,-0.00307142,-0.001
 16684,0.00141229,0.00130169,0.00888379,-0.00904399,0.13472356,-0.21085
 689,-0.20304216,0.01596284,-0.04574768,-0.07281045,-0.00028093,-0.0000
 6674,0.00018299,-0.00514389,0.00046983,0.00165524,-0.15332041,0.239388
 15,0.00125200,-0.00225415,0.00219034,0.00127886,0.00552591,-0.00661606
 ,0.02689833,-0.01863363,-0.00590994,0.25926233,-0.19459759,-0.41313666
 ,0.00788141,-0.06860656,-0.03368465,0.00089981,0.00103071,-0.00177726,
 -0.00308317,-0.00209809,0.00103488,-0.29746854,0.27405651,0.45963848,0
 .00123607,-0.00061438,-0.00165089,-0.00229783,0.00166670,-0.02583567,-
 0.04778836,-0.00397043,0.00501669,0.00170026,0.00317417,0.03366218,-0.
 00086972,0.00000632,-0.00166834,-0.00332298,0.00356062,-0.00045979,0.0
 0337508,-0.00225441,-0.00472497,-0.00746812,0.00008090,0.00032614,0.05
 504334,-0.00090000,0.00048941,0.00002454,0.00236391,0.00080239,0.01958
 260,-0.00422770,-0.04595770,-0.02121857,0.00380743,0.00103309,0.008807
 41,-0.00168847,-0.00062468,-0.00025583,0.00300357,-0.00207406,0.000486
 03,0.00567245,-0.01664784,-0.03555222,-0.00264556,0.00099433,0.0004618
 1,-0.00104950,0.06612121,0.00133289,-0.00111547,0.00081034,-0.00115657
 ,0.00174854,-0.01607744,0.00651647,-0.02255753,-0.29559526,-0.00011194
 ,-0.00320829,-0.01449549,-0.00099411,-0.00004273,0.00208557,-0.0018834
 1,0.00236608,0.00110925,0.00077648,-0.00910332,-0.00203476,0.00176500,
 0.00150647,0.00084615,-0.00436685,0.03076010,0.32178376,-0.01228499,-0
 .02910689,-0.00639837,-0.06565861,-0.06522663,-0.01982032,0.00471123,0
 .02116190,0.00642878,0.00067180,0.00228959,0.00137967,-0.00112870,-0.0
 0032647,-0.00028903,-0.00047106,-0.00141907,-0.00098402,-0.00328529,0.
 00427697,-0.00165699,-0.00028197,-0.00030184,-0.00041973,0.00083545,-0
 .00062534,0.00003821,0.07911084,-0.00243849,-0.00541903,-0.00096095,-0
 .06331787,-0.26159276,-0.06272636,-0.00431850,-0.02061833,-0.00655487,
 -0.00128608,-0.00311191,-0.00142444,-0.00101299,0.00172697,0.00037018,
 0.00022863,0.00040451,-0.00033006,0.00368703,-0.00305171,0.00213338,0.
 00034812,0.00076063,0.00047529,-0.00023829,0.00051378,0.00051659,0.068
 96030,0.28540319,0.00529576,0.01368340,0.00332708,-0.01916078,-0.06325
 694,-0.06692928,0.00327013,0.01079740,0.00250688,0.00018921,-0.0010138
 8,0.00022132,-0.00040937,0.00063504,-0.00012607,-0.00939171,-0.0318171
 2,-0.01295011,-0.00190806,0.00158793,0.00042734,-0.00004791,0.00017020
 ,0.00018393,0.00060916,-0.00009941,0.00022134,0.02010879,0.06778671,0.
 07719128,0.00003809,-0.00000303,0.00009822,0.00038437,0.00029365,-0.00
 004174,0.00381764,-0.00357793,-0.00117677,-0.02257431,-0.01631606,0.00
 493697,-0.37085562,-0.10715402,0.15999988,-0.00015942,-0.00007220,0.00
 012769,-0.00108785,0.00036372,0.00022174,0.00032406,0.00798842,0.00238
 541,0.00041685,0.00047994,0.00029554,-0.00013457,0.00005360,0.00006882
 ,0.38958047,-0.00005272,0.00017691,0.00006511,-0.00029612,-0.00016608,
 0.00021867,-0.00072142,-0.00259200,-0.00489285,-0.04813892,-0.01496867
 ,0.01711896,-0.07612539,-0.05753843,0.01877050,0.00009109,-0.00005049,
 0.00003517,-0.00100129,-0.00025576,0.00014316,0.00771466,0.00342249,0.
 00271326,0.00060061,-0.00001728,-0.00020406,-0.00016075,0.00035230,-0.
 00008414,0.11836983,0.07207312,0.00002936,-0.00017576,-0.00002601,0.00
 039227,0.00012625,-0.00015871,0.00115084,-0.00420519,0.00020125,-0.021
 64565,-0.00510308,0.01477777,0.18613076,0.04093801,-0.11277116,-0.0001
 9941,0.00004300,0.00009918,-0.00099619,-0.00010705,0.00057441,0.001695
 32,0.00242834,-0.00538874,-0.00029306,0.00012184,0.00052783,-0.0000027
 4,-0.00007681,0.00000183,-0.16644744,-0.03371758,0.10215229,-0.0005352
 8,0.00017802,-0.00030359,-0.00020678,0.00001232,0.00128869,0.00120184,
 0.00388435,-0.00590363,0.00292178,-0.00555825,-0.00542512,-0.00003711,
 0.00222960,0.00205106,0.00093446,0.00067080,0.00046670,-0.08747581,0.0
 0769491,0.11990868,-0.00176205,0.00275886,0.00177072,-0.00054919,-0.00
 389973,-0.00181400,0.00007256,-0.00007402,-0.00026380,-0.00018253,-0.0
 0036828,-0.00004822,0.10015793,-0.00026031,-0.00013843,0.00004815,-0.0
 0031282,-0.00119177,-0.00142196,0.01398800,-0.01259337,-0.03784385,0.0
 0031582,-0.00211457,-0.00427664,0.00045136,0.00150161,0.00097161,0.000
 01924,-0.00000975,0.00000404,0.00273018,-0.05597332,-0.06345980,0.0011
 4696,0.00146951,0.00232376,-0.00065408,-0.00496916,-0.00006168,0.00028
 338,-0.00015018,0.00052135,-0.00016829,-0.00016218,0.00003284,-0.01603
 251,0.07239896,-0.00018760,0.00010764,-0.00021753,0.00011022,0.0015027
 9,0.00086680,-0.00294042,0.00023519,-0.01023856,0.00201351,-0.00078257
 ,-0.00058926,-0.00005334,-0.00022951,-0.00005379,-0.00009296,0.0000696
 3,0.00000934,0.15399790,-0.09368359,-0.35176846,0.00006389,0.00236282,
 -0.00023665,-0.00007787,-0.00316419,0.00056754,-0.00025591,0.00041926,
 -0.00031704,0.00005316,0.00003152,0.00010030,-0.14642963,0.08995514,0.
 36248913,0.00054426,0.00135254,0.00037751,0.00008659,0.00140836,-0.000
 19877,-0.00178356,0.00287653,-0.00258323,-0.00024630,0.00105208,-0.000
 33553,-0.00002139,-0.00027422,0.00008907,-0.00013511,-0.00002987,-0.00
 005075,-0.40083226,-0.11782577,0.04080298,0.00045754,-0.00088942,-0.00
 041788,-0.00034307,-0.00071225,0.00014155,-0.00020833,-0.00004516,0.00
 015273,0.00017628,0.00001228,0.00003944,-0.01366615,-0.00197045,-0.006
 09120,0.41704727,-0.00025040,-0.00080108,-0.00063818,-0.00123672,0.001
 64680,0.00057702,-0.03863563,-0.01410724,0.00387155,0.00195462,-0.0065
 9774,-0.00385532,-0.00233885,-0.00092289,0.00081999,0.00013374,-0.0002
 6943,0.00025584,-0.08471145,-0.06550079,-0.01689580,0.00002280,0.00134
 626,0.00024926,-0.00006806,0.00006736,-0.00044133,-0.00018370,0.000696
 97,-0.00025271,-0.00033682,-0.00039046,-0.00034179,0.00900595,0.001736
 97,0.00235119,0.11439390,0.08190077,-0.00034841,-0.00008321,0.00018967
 ,0.00066353,-0.00051623,0.00079283,-0.00845954,0.00228284,-0.00073326,
 0.00190607,-0.00115977,-0.00189551,-0.00062391,-0.00018333,0.00051819,
 0.00053469,0.00037799,0.00017421,0.00318833,-0.02594089,-0.03520796,0.
 00023896,0.00134363,0.00066970,-0.00016307,-0.00053246,-0.00047468,0.0
 0013042,-0.00031726,-0.00010408,-0.00021968,-0.00021269,0.00007198,0.0
 3516161,0.01203299,-0.00060221,-0.03181104,0.01343269,0.03721390,0.000
 44430,0.00110225,0.00029854,-0.00186792,-0.00189645,-0.00126004,0.0001
 1417,-0.00138577,-0.00043064,-0.00003001,-0.00087789,-0.00008412,0.000
 10153,0.00050234,0.00007924,-0.06657274,-0.06430407,-0.02064118,0.0004
 2256,0.00010291,0.00084326,0.00002902,0.00048154,0.00022423,0.00004230
 ,0.00020504,0.00008040,0.00070318,0.00030878,-0.00040057,0.00007494,-0
 .00003942,0.00007213,-0.00072901,0.00062145,-0.00043365,0.00010961,0.0
 0012807,-0.00024831,0.06740304,0.00000876,0.00053152,0.00029817,-0.001
 05582,-0.00055963,-0.00216896,0.00052619,-0.00107919,0.00008093,0.0003
 9231,-0.00035761,-0.00036007,-0.00010576,0.00014826,0.00003135,-0.0648
 2441,-0.26188333,-0.07155627,0.00094107,0.00017959,0.00105183,-0.00012
 959,0.00021292,0.00021270,-0.00024039,0.00002461,-0.00018501,0.0004279
 5,0.00122214,-0.00006621,0.00005454,-0.00000643,0.00003237,-0.00016548
 ,-0.00000863,0.00053894,0.00009251,-0.00013944,0.00010643,0.07113358,0
 .28645935,-0.00122246,-0.00084610,0.00175218,-0.00937944,-0.03277417,-
 0.01146510,0.00006257,-0.00154788,0.00055734,0.00007239,-0.00035542,-0
 .00060105,0.00003798,0.00026419,0.00016864,-0.02025479,-0.07063364,-0.
 07022834,0.00055259,0.00043667,0.00139510,-0.00000938,0.00014994,0.000
 29001,0.00021213,0.00015375,0.00022104,-0.00026800,0.00053921,-0.00669
 828,-0.00002217,0.00005068,-0.00001033,-0.00066546,0.00069078,-0.00015
 735,0.00008343,0.00060321,-0.00065820,0.02359504,0.07961616,0.07846975
 ,0.00081408,0.00045533,-0.00017277,0.00343597,0.00134341,-0.00132626,0
 .00040341,0.00026174,0.00014389,-0.00075273,0.00014344,-0.00045295,0.0
 0023500,0.00020661,0.00007684,-0.25075245,-0.05312528,0.09667400,0.000
 12645,-0.00019932,0.00011826,-0.00083859,0.00033789,-0.00095474,0.0001
 1499,-0.00009712,0.00007364,0.00035169,0.00024691,0.00058732,0.0000229
 7,-0.00001796,0.00003975,-0.00007816,-0.00005496,0.00007498,-0.0000035
 8,0.00008723,-0.00009499,-0.00722942,-0.00139666,0.00262988,0.27229408
 ,0.00018158,0.00046703,-0.00018417,0.00200327,-0.00118866,-0.00049190,
 -0.00057256,0.00020358,0.00018389,-0.00038418,0.00141463,0.00184454,0.
 00004853,-0.00083052,-0.00024164,-0.05191932,-0.06096611,0.02451433,0.
 00034406,-0.00021845,0.00008552,0.00024731,-0.00038432,-0.00125190,0.0
 0008974,-0.00001339,-0.00005017,0.00047548,0.00021041,0.00021304,-0.00
 000148,0.00013560,-0.00002111,-0.00013327,-0.00026151,0.00014278,0.000
 02528,0.00018686,-0.00022072,-0.02675917,-0.00595763,0.01282481,0.0574
 9765,0.06078624,-0.00236041,-0.00063197,-0.00674700,0.03059815,0.00813
 890,-0.01261404,0.00066098,-0.00010155,0.00141291,-0.00025442,0.000599
 56,-0.00215472,-0.00006863,-0.00005457,0.00028321,0.09464277,0.0245515
 3,-0.09379650,-0.00030287,0.00024963,0.00006249,-0.00033784,-0.0001629
 2,0.00102946,0.00004609,-0.00035886,0.00020113,-0.00011714,-0.00045178
 ,0.00132901,-0.00020415,-0.00005539,-0.00009030,0.00006729,0.00019623,
 -0.00009365,0.00004988,-0.00020907,-0.00001105,-0.00935949,-0.00130217
 ,0.00400581,-0.10533463,-0.02715131,0.10355795,0.00056836,-0.00043442,
 0.00074490,-0.00255400,0.00081813,-0.00071098,0.00080071,-0.00122493,-
 0.00027488,0.00027018,0.00072127,0.00098050,-0.00006105,-0.00047332,-0
 .00013260,-0.16927747,0.11777555,-0.05747463,0.00030087,0.00008589,0.0
 0029054,-0.00010626,-0.00012367,-0.00079249,-0.00003757,0.00028189,-0.
 00019076,-0.00007362,-0.00021173,-0.00024188,0.00006221,0.00009754,0.0
 0002869,-0.00011574,-0.00011235,0.00010267,0.00001322,0.00005770,-0.00
 007028,0.00673290,-0.00620479,0.00389152,-0.01866884,0.01895883,-0.009
 41501,0.18160117,0.00011802,-0.00007727,-0.00026203,-0.00209082,0.0009
 7802,-0.00159543,-0.00026665,-0.00028032,-0.00092317,-0.00020407,-0.00
 018695,-0.00015064,0.00013559,0.00016389,0.00008243,0.11745419,-0.1591
 8844,0.05614787,0.00062377,0.00046851,0.00097054,0.00013476,0.00011510
 ,-0.00003919,-0.00008208,0.00012210,-0.00010781,-0.00025690,0.00061969
 ,0.00043421,-0.00000612,-0.00001579,-0.00000137,-0.00048042,0.00034439
 ,-0.00003953,0.00004278,0.00015487,-0.00025474,0.02072460,-0.01922346,
 0.00960123,-0.00553067,0.00545129,-0.00362231,-0.12981782,0.17026998,-
 0.00116910,0.00054073,0.00148522,-0.02322377,0.02334304,-0.01235207,0.
 00022677,-0.00242176,-0.00661741,0.00196362,0.00003873,-0.00135945,-0.
 00030414,-0.00025143,0.00017920,-0.05633023,0.05488123,-0.07207956,0.0
 0048704,-0.00008710,0.00071821,-0.00033693,0.00009672,0.00095150,-0.00
 154959,0.00118117,-0.00086838,-0.00006580,-0.00045997,0.00139232,-0.00
 002095,0.00000455,-0.00003234,-0.00007796,0.00016858,0.00006266,0.0000
 5759,0.00006228,0.00006848,0.00770107,-0.00593430,0.00271575,0.0084128
 2,-0.00993107,0.00432773,0.06328151,-0.06050736,0.08130707,-0.04834973
 ,-0.00093911,-0.01712421,0.00171652,0.00274495,0.03020335,0.00176125,0
 .00010296,0.00166331,-0.00007643,-0.00033360,0.00029307,0.00012893,0.0
 0006079,-0.00008324,-0.00577767,-0.00123987,0.00146083,-0.00003567,-0.
 00004955,-0.00030632,0.00035289,-0.00000084,-0.00038170,-0.00036249,0.
 00016327,-0.00075408,0.00116531,-0.00005450,-0.00068632,0.00000463,-0.
 00002203,0.00001618,-0.00004279,-0.00008797,-0.00002917,-0.00001041,0.
 00003105,0.00006347,-0.00005998,0.00014804,-0.00013201,0.00019525,-0.0
 0005766,0.00198474,0.00010413,-0.00026758,-0.00003260,0.05209269,-0.00
 095760,-0.04849566,-0.01204457,0.00120738,-0.00103735,0.00686627,0.000
 16897,0.00029612,-0.00081980,0.00015637,0.00010727,0.00012289,-0.00004
 783,-0.00012880,-0.00004884,-0.00124619,0.00011548,0.00033933,0.000202
 38,-0.00025448,0.00038881,-0.00004959,-0.00005878,-0.00005920,0.000110
 96,0.00014338,-0.00000124,0.00045029,0.00007514,0.00021843,0.00000161,
 0.00000769,0.00000242,-0.00008105,-0.00000642,0.00000485,-0.00010787,0
 .00010087,-0.00043551,-0.00002534,0.00026551,0.00041360,-0.00012521,0.
 00056715,0.00043033,-0.00018403,0.00012035,-0.00042084,0.00167137,0.04
 708206,-0.01531769,-0.01210090,-0.30504071,-0.00146644,-0.00077166,-0.
 01355239,-0.00121839,0.00023267,0.00009950,0.00009268,0.00003038,0.000
 16415,0.00006151,0.00009338,0.00010091,0.00378823,0.00122141,0.0002558
 7,0.00023180,-0.00053179,0.00037631,-0.00027326,0.00003764,0.00027669,
 0.00062960,-0.00032790,0.00076713,0.00009702,0.00043316,0.00050201,-0.
 00003901,0.00000273,-0.00003199,-0.00009124,0.00010575,0.00002754,-0.0
 0000300,0.00013813,-0.00044230,-0.00013820,-0.00001111,0.00030117,-0.0
 0010452,-0.00009276,-0.00098729,-0.00011135,-0.00006917,0.00037344,0.0
 1542435,0.01249145,0.33318839,-0.07450915,-0.07631810,-0.02212336,-0.0
 1078705,-0.02861327,-0.00828777,0.00094602,-0.00178836,-0.00065422,0.0
 0015193,-0.00081503,-0.00025964,-0.00007458,0.00048149,0.00006121,0.00
 118976,0.00017954,-0.00158916,0.00050667,0.00066500,0.00009597,0.00006
 400,0.00037950,0.00017163,-0.00013350,0.00012342,0.00002295,-0.0051564
 8,-0.00054472,0.00290584,0.00005469,0.00005455,-0.00000713,0.00004621,
 0.00006817,0.00014565,-0.00128766,0.00181722,0.00000964,0.00031342,0.0
 0045362,0.00075445,0.00007954,0.00036669,-0.00017314,0.00000779,0.0001
 1012,0.00011453,-0.00152693,-0.00157102,-0.00075620,0.08242031,-0.0763
 6361,-0.25508449,-0.06106332,-0.00371390,-0.00607573,-0.00138074,0.000
 23918,-0.00140034,0.00030251,0.00029677,-0.00009533,-0.00054585,-0.000
 10631,0.00008510,0.00008403,0.00025703,0.00041562,-0.00040131,0.001028
 10,0.00032411,-0.00016739,-0.00018058,0.00017133,0.00033718,-0.0000836
 2,0.00002364,0.00007907,-0.00105897,0.00113436,0.00098749,0.00002435,0
 .00001751,0.00001090,0.00025396,0.00006658,0.00008922,0.00089711,0.000
 20505,0.00006457,-0.00012419,0.00027663,0.00072613,0.00011323,0.000299
 25,0.00017954,-0.00005345,-0.00012035,-0.00002636,0.00057156,-0.000295
 61,-0.00038647,0.08533795,0.28050635,-0.02253153,-0.06142202,-0.065953
 72,0.00366714,0.01342506,0.00289684,-0.00053452,-0.00076106,0.00010826
 ,-0.00007429,0.00026574,0.00000745,0.00011294,-0.00006936,0.00003293,-
 0.00020701,0.00115915,0.00131265,-0.00017273,0.00006000,-0.00035960,-0
 .00002442,0.00001375,-0.00002246,0.00007219,-0.00008867,0.00000813,0.0
 0288167,0.00066578,-0.00052533,-0.00000431,-0.00001977,0.00001935,0.00
 023926,-0.00000147,0.00009347,-0.00003064,0.00006732,0.00066089,0.0000
 6937,-0.00035464,-0.00001784,-0.00018417,-0.00019816,0.00010297,-0.000
 01430,0.00006510,-0.00006036,-0.01025379,-0.02992031,-0.00736498,0.022
 87111,0.06754022,0.06671770,-0.16170235,0.11849279,-0.05421773,-0.0212
 4837,0.02033793,-0.00914678,-0.00568710,-0.00308107,0.00306787,0.00084
 797,0.00231568,-0.00165719,-0.00040295,-0.00072812,0.00003038,0.000950
 95,0.00053187,-0.00137782,0.00042977,-0.00007106,-0.00014724,-0.000838
 27,-0.00027490,0.00116738,0.00040849,-0.00025525,0.00022860,0.00106155
 ,-0.00029103,-0.00067735,0.00003709,0.00000373,0.00004509,0.00004581,0
 .00002918,0.00002976,0.00010305,0.00012935,0.00014250,-0.00000189,-0.0
 0005565,0.00006173,0.00025035,-0.00041075,-0.00012217,0.00043300,-0.00
 034069,0.00086613,-0.00127949,0.00042641,-0.00080591,0.00769501,-0.007
 33462,0.00411802,0.17889737,0.11979922,-0.16633114,0.05509542,-0.00595
 834,0.00452720,-0.00204582,-0.00190917,-0.00040334,0.00043378,-0.00020
 981,0.00028278,-0.00029017,0.00007690,-0.00002883,0.00002035,-0.000115
 32,-0.00000390,-0.00012854,0.00041160,0.00040413,-0.00015590,0.0000394
 6,0.00008980,0.00015392,-0.00003477,-0.00003120,0.00010177,0.00034069,
 0.00082384,-0.00044481,0.00000631,-0.00002207,0.00001379,0.00010422,0.
 00006126,0.00008841,-0.00029836,0.00068629,0.00021567,0.00010175,-0.00
 010521,0.00008684,-0.00014626,0.00009856,-0.00024381,0.00004371,0.0002
 8441,-0.00027685,-0.00244127,0.00139607,-0.00049497,0.01961323,-0.0204
 5369,0.00957335,-0.12942381,0.17872503,-0.05508569,0.05571770,-0.07255
 324,0.00915520,-0.00987434,0.00273543,0.00243449,0.00030328,-0.0011115
 4,-0.00002695,-0.00057984,0.00091140,0.00003203,0.00017076,-0.00002363
 ,0.00043993,-0.00074205,0.00089794,0.00011542,0.00007306,0.00024148,0.
 00001896,0.00009028,-0.00033872,0.00021594,0.00001887,0.00039681,-0.00
 078651,-0.00003706,0.00034584,-0.00001120,0.00003217,-0.00001662,0.000
 06863,0.00001417,0.00005773,-0.00027212,0.00020571,-0.00023060,0.00003
 291,-0.00003014,-0.00004028,-0.00020636,0.00002600,0.00018188,0.000108
 83,0.00027138,-0.00021203,-0.02132587,0.02247191,-0.00901346,0.0066976
 3,-0.00642942,0.00234364,0.05839473,-0.06170244,0.07542797\\0.00001090
 ,-0.00000325,-0.00000275,0.00000176,-0.00000335,0.00001861,-0.00002582
 ,0.00003583,0.00000197,0.00000657,-0.00003093,-0.00002873,-0.00000354,
 0.00002468,0.00001383,-0.00000468,-0.00000991,-0.00000073,0.00001263,-
 0.00000594,-0.00000744,-0.00001173,0.00000152,0.00001204,0.00001009,-0
 .00000101,0.00000775,-0.00000191,-0.00000106,0.00000302,0.00000050,-0.
 00000324,0.00000254,-0.00000119,-0.00000708,-0.00000743,-0.00000266,0.
 00000151,-0.00000264,-0.00000181,0.00000164,-0.00000445,0.00000257,0.0
 0000157,-0.00000160,0.00000194,0.00000201,-0.00000511,0.00000058,-0.00
 000046,0.00000136,0.00000105,-0.00000189,0.00000094,0.00000475,-0.0000
 0064,-0.00000118\\\@


 ALL MY ATTEMPTS TO ADAPT THE THEORETICAL FOUNDATIONS OF PHYSICS
 TO THESE NEW NOTIONS FAILED COMPLETELY. IT WAS AS IF THE GROUND HAD
 BEEN PULLED OUT FROM UNDER ONE WITH NO FIRM FOUNDATION TO BE SEEN ANYWHERE,
 UPON WHICH ONE COULD HAVE BUILT.  -- A.EINSTEIN
 Job cpu time:       0 days  1 hours 53 minutes  3.4 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 11.2 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:53:50 2021.
